Geometry & MOs

Info

ID:	370400
PubChem CID:	127338456
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	4.49
IP(EA), eV:	-9.49(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)NC3=NN=C(C=C3)C4CC4

DOS

IR

Vibrations