Geometry & MOs

Info

ID:	271564
PubChem CID:	103684144
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	71.98
Dipole, Da:	6.15
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylcyclohexyl)-3-nitroaniline

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)NC3CCCCC3SC

DOS

IR

Vibrations