Geometry & MOs

Info

ID:	25503
PubChem CID:	625949
Reduced:	SN3O4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	360.080965
ΔH_f, kcal/mol:	32.63
Dipole, Da:	7.17
IP(EA), eV:	-9.25(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-4-pyridin-3-yl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations