Geometry & MOs

Info

ID:	175205
PubChem CID:	75866501
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	392.18667
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	7.28
IP(EA), eV:	-9.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)N(C)CC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations