Geometry & MOs

Info

ID:	334128
PubChem CID:	127252680
Reduced:	N4O6H22C25 (1)
Stoich.:	A4B6C22D25 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-135.23
Dipole, Da:	1.92
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(1-propan-2-ylindol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=C(N=CC=C5)OC)OC

DOS

IR

Vibrations