Geometry & MOs

Info

ID:	347982
PubChem CID:	127273044
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	6.24
IP(EA), eV:	-8.6(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC(C)N2CCN(CC2)C

DOS

IR

Vibrations