Geometry & MOs

Info

ID:	74091
PubChem CID:	48421448
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	4.24
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations