Geometry & MOs

Info

ID:	25139
PubChem CID:	619469
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	318.994708
ΔH_f, kcal/mol:	25.45
Dipole, Da:	7.82
IP(EA), eV:	-9.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2,2-bis(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations