Geometry & MOs

Info

ID:	210096
PubChem CID:	80762288
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	232.112425
ΔH_f, kcal/mol:	28.69
Dipole, Da:	7.03
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=C(C=CC(=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations