Geometry & MOs

Info

ID:	45338
PubChem CID:	10511498
Reduced:	ClON4C5H9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	5.01
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylsulfanyl-1,2,4-triazine-5-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(NC1=O)C(=[NH2+])N.[Cl-]

DOS

IR

Vibrations