Geometry & MOs

Info

ID:	211233
PubChem CID:	80916222
Reduced:	IO3N5H8C10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	267.068701
ΔH_f, kcal/mol:	65.63
Dipole, Da:	2.73
IP(EA), eV:	-9.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NN)I

DOS

IR

Vibrations