Geometry & MOs

Info

ID:	305752
PubChem CID:	124968019
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	4.25
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[(6S)-4-acetyl-6-(quinolin-8-ylmethyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=NC(=CC=C2)[C@@H]3CN(CCO3)CC(=O)NCC4=CC=CC=N4

DOS

IR

Vibrations