Geometry & MOs

Info

ID:	291514
PubChem CID:	113040843
Reduced:	O2S2N4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	38.08
Dipole, Da:	6.31
IP(EA), eV:	-8.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NN=C(C=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations