Geometry & MOs

Info

ID:	271570
PubChem CID:	103684192
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	22.27
Dipole, Da:	1.89
IP(EA), eV:	-8.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-methylsulfanylcyclohexyl)-4-nitroaniline

Drug info:

PubChemData

Smile

CSC1CCCCC1NC2=NC=CC=N2

DOS

IR

Vibrations