Geometry & MOs

Info

ID:	209386
PubChem CID:	80663520
Reduced:	ClN3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	231.083019
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	1.64
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methylphenyl)methylsulfanyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CN(CC(C)C)CC(C)C)Cl

DOS

IR

Vibrations