Geometry & MOs

Info

ID:	211299
PubChem CID:	80926533
Reduced:	BrSO2N6C9H9 (1)
Stoich.:	ABC2D6E9F9 (1)
Weight, g/mol:	283.039151
ΔH_f, kcal/mol:	75.23
Dipole, Da:	2.8
IP(EA), eV:	-9.55(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CNC2=C(C(=NC=N2)NN)[N+](=O)[O-]

DOS

IR

Vibrations