Geometry & MOs

Info

ID:	368404
PubChem CID:	127328329
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	3.88
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)CNC(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations