Geometry & MOs

Info

ID:	49507
PubChem CID:	11533142
Reduced:	N2O4C29H42 (1)
Stoich.:	A2B4C29D42 (1)
Weight, g/mol:	482.13174
ΔH_f, kcal/mol:	-187.81
Dipole, Da:	1.6
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-bromo-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)-N-[2-(diethylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCN1C2=C(C(=CC(=C2)O)O)N(C3=C(C1=O)C=CC=C3O)C

DOS

IR

Vibrations