Geometry & MOs

Info

ID:	129719
PubChem CID:	51073635
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	5.62
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepane-1-carbonyl)-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations