Geometry & MOs

Info

ID:	161267
PubChem CID:	57391206
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	537.221676
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	3.37
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=C(C=CC(=C1)Cl)O

DOS

IR

Vibrations