Geometry & MOs

Info

ID:	246970
PubChem CID:	103065873
Reduced:	ClNOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	3.01
IP(EA), eV:	-9.34(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-4,5-dihydro-3H-2-benzazepin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(=O)N(C1)CC(=C)CCl

DOS

IR

Vibrations