Geometry & MOs

Info

ID:	368405
PubChem CID:	127328330
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	3.14
IP(EA), eV:	-8.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2(CCCN2C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations