Geometry & MOs

Info

ID:

443028

PubChem CID:

135257474

Reduced:

N10C49H58 (1)

Stoich.:

A10B49C58 (1)

Weight, g/mol:

780.487946

ΔHf, kcal/mol:

155.07

Dipole, Da:

7.1

IP(EA), eV:

 -7.52(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-(2,3,4,4a,5,6,7,8-octahydro-1,7-naphthyridin-5-yl)-2,4,6-trimethylphenyl]-14-[2,4,6-trimethyl-3-(7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridin-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1C2NCCCN2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=CC=CC=C76)C8=CC(=C(C(=C8)C9NCCCN9C)C)C1NCCCN1)C1NCCCN1

DOS

IR

Vibrations