Geometry & MOs

Info

ID:	291496
PubChem CID:	112863300
Reduced:	N2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	358.140531
ΔH_f, kcal/mol:	82.5
Dipole, Da:	5.43
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-difluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=CC(=NC=N2)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations