Geometry & MOs

Info

ID:	15988
PubChem CID:	457342
Reduced:	OF3N6C17H17 (1)
Stoich.:	AB3C6D17E17 (1)
Weight, g/mol:	378.141594
ΔH_f, kcal/mol:	-120.24
Dipole, Da:	5.48
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=CC(=C3)C(F)(F)F)OC)N)N

DOS

IR

Vibrations