Geometry & MOs

Info

ID:	21783
PubChem CID:	589909
Reduced:	Cl2N3H6F7C15 (1)
Stoich.:	A2B3C6D7E15 (1)
Weight, g/mol:	430.9827
ΔH_f, kcal/mol:	-275.12
Dipole, Da:	8.3
IP(EA), eV:	-9.43(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dichloro-4-(2-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(N=C3N2C=C(C=C3Cl)Cl)(C(F)(F)F)C(F)(F)F)F

DOS

IR

Vibrations