Geometry & MOs

Info

ID:	271572
PubChem CID:	103684211
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	2.12
IP(EA), eV:	-8.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3,5-dimethylcyclohexyl)pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2CCCCC2SC)C

DOS

IR

Vibrations