Geometry & MOs

Info

ID:	367016
PubChem CID:	127322871
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	1.56
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations