Geometry & MOs

Info

ID:	443792
PubChem CID:	135259998
Reduced:	NSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	398.235814
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	1.16
IP(EA), eV:	-10.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,6R)-4-benzyl-2,6-dimethylpiperazin-1-yl]-2-(3-phenylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCS(=O)(=O)O)C#N

DOS

IR

Vibrations