Geometry & MOs

Info

ID:	214293
PubChem CID:	84974948
Reduced:	O3N4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	4.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757115
Charge, e:	1

Chem-info

IUPAC name:

1-[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations