Geometry & MOs

Info

ID:	351247
PubChem CID:	127279805
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	5.46
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2,3-dihydro-1H-indene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)NC3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations