Geometry & MOs

Info

ID:	435465
PubChem CID:	135191528
Reduced:	NOC7H9 (4)
Stoich.:	ABC7D9 (4)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	5.05
IP(EA), eV:	-8.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(piperidin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC(=C(C=C1)NC2=C(C/C(=C/C3=CNC4=C3C=CCN4)/O2)C(=O)OCC)C

DOS

IR

Vibrations