Geometry & MOs

Info

ID:	356750
PubChem CID:	127292231
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	5.39
IP(EA), eV:	-9.66(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NCC(=O)N2CCCC2

DOS

IR

Vibrations