Geometry & MOs

Info

ID:	214346
PubChem CID:	84975236
Reduced:	N3O4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	329.069782
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773823
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dichloroanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)N

DOS

IR

Vibrations