Geometry & MOs

Info

ID:	74078
PubChem CID:	48421430
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	380.161518
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	1.88
IP(EA), eV:	-8.42(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CC(=CC=C3)N4CCNC4=O)C

DOS

IR

Vibrations