Geometry & MOs

Info

ID:	73903
PubChem CID:	48420966
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	11.11
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-(4-nitrophenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations