Geometry & MOs

Info

ID:	211301
PubChem CID:	80926596
Reduced:	O2S2N5C10H11 (1)
Stoich.:	A2B2C5D10E11 (1)
Weight, g/mol:	240.112344
ΔH_f, kcal/mol:	84.44
Dipole, Da:	3.47
IP(EA), eV:	-9.27(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SC2=CC(=CC(=C2)[N+](=O)[O-])NN

DOS

IR

Vibrations