Geometry & MOs

Info

ID:	136426
PubChem CID:	52040981
Reduced:	FN3H16C18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	311.123404
ΔH_f, kcal/mol:	27.7
Dipole, Da:	3.26
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-4-(2,5-dimethylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)F

DOS

IR

Vibrations