Geometry & MOs

Info

ID:	214320
PubChem CID:	84975079
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	295.181038
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	3.4
IP(EA), eV:	-8.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations