Geometry & MOs

Info

ID:

298155

PubChem CID:

117647804

Reduced:

N4H44C53 (1)

Stoich.:

A4B44C53 (1)

Weight, g/mol:

255.104799

ΔHf, kcal/mol:

197.98

Dipole, Da:

3.14

IP(EA), eV:

 -7.8(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CC6=C(C7=C(C6(C)C)C=C(C=C7)C8=NC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)N=C5C4(C)C

DOS

IR

Vibrations