Geometry & MOs

Info

ID:	124197
PubChem CID:	50874525
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	4.49
IP(EA), eV:	-8.56(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(1-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCCNC(=O)C2CCCN(C2)C

DOS

IR

Vibrations