Geometry & MOs

Info

ID:	152399
PubChem CID:	56311318
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	5.17
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations