Geometry & MOs

Info

ID:	356694
PubChem CID:	127292175
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	2.21
IP(EA), eV:	-8.87(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpiperidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)N(C)C2CCOC2

DOS

IR

Vibrations