Geometry & MOs

Info

ID:	371961
PubChem CID:	131282678
Reduced:	ClN2O2S2C9H9 (1)
Stoich.:	AB2C2D2E9F9 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	8.3
IP(EA), eV:	-9.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3,4-dimethyl-1H-pyrrol-2-yl)pyrazin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1=C(NC(=C1)S(=O)(=O)Cl)CCC2=CSC=N2

DOS

IR

Vibrations