Geometry & MOs

Info

ID:	158400
PubChem CID:	56463569
Reduced:	O2N4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	406.273262
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	3.07
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-(pyrrolidin-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3

DOS

IR

Vibrations