Geometry & MOs

Info

ID:	210092
PubChem CID:	80761561
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	236.087353
ΔH_f, kcal/mol:	79.26
Dipole, Da:	3.37
IP(EA), eV:	-8.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,5-difluorophenyl)-5-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NC(=CN3C2=NC=C3)NC

DOS

IR

Vibrations