Geometry & MOs

Info

ID:	124221
PubChem CID:	50875325
Reduced:	OSN2C20H24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	3.76
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3

DOS

IR

Vibrations