Geometry & MOs

Info

ID:	153216
PubChem CID:	56312377
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	379.192963
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	3.61
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

DOS

IR

Vibrations