Geometry & MOs

Info

ID:	413798
PubChem CID:	135086748
Reduced:	SC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	168.020274
ΔH_f, kcal/mol:	53.47
Dipole, Da:	1.72
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-3-isocyanopyrazin-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(CCC3=CC=C1C=C3)C=C2)S)S

DOS

IR

Vibrations