Geometry & MOs

Info

ID:	199078
PubChem CID:	79195061
Reduced:	F2H3N3O3C8 (1)
Stoich.:	A2B3C3D3E8 (1)
Weight, g/mol:	222.057532
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	4.95
IP(EA), eV:	-11.32(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])F)F)C(=O)NC#N

DOS

IR

Vibrations