Geometry & MOs

Info

ID:	214321
PubChem CID:	84975080
Reduced:	ON2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	3.54
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.197369
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations