Geometry & MOs

Info

ID:	36426
PubChem CID:	8006377
Reduced:	ClN2O2H13C19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	376.125944
ΔH_f, kcal/mol:	4.38
Dipole, Da:	2.49
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations