Geometry & MOs

Info

ID:	291497
PubChem CID:	112873995
Reduced:	F3N4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	372.03859
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	3.83
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(4-bromophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=C(C=C(C=C2)F)F)NCCC3=CC=CC=C3F

DOS

IR

Vibrations