Geometry & MOs

Info

ID:	214355
PubChem CID:	84975264
Reduced:	O2N3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	363.03081
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755027
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations