Geometry & MOs

Info

ID:	356719
PubChem CID:	127292200
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	3.62
IP(EA), eV:	-8.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=C(C=C(NC3=O)C)C

DOS

IR

Vibrations