Geometry & MOs

Info

ID:	267747
PubChem CID:	103587791
Reduced:	F2O2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	268.093581
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	4.64
IP(EA), eV:	-8.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,5-difluoro-4-methylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC2=CC=CC(=C2[N+](=O)[O-])NC)F

DOS

IR

Vibrations