Geometry & MOs

Info

ID:

425848

PubChem CID:

135128282

Reduced:

OSN6C25H34 (1)

Stoich.:

ABC6D25E34 (1)

Weight, g/mol:

581.283098

ΔHf, kcal/mol:

14.6

Dipole, Da:

2.87

IP(EA), eV:

 -8.22(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(10,10,18,20,20-pentamethyl-14,24-diphenyl-5,8-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,21]tetracosa-1,3(11),4,6,8,12,14,16,18,21,23-undecaen-19-yl)prop-2-en-1-imine

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)NC5CCC(CC5)O)SC=C4

DOS

IR

Vibrations