Geometry & MOs

Info

ID:	289243
PubChem CID:	104341531
Reduced:	OF3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	6.37
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)NC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations