Geometry & MOs

Info

ID:	284992
PubChem CID:	104088302
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	5.76
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydrazinyl-2-phenylpyrimidin-4-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=CC=CC(=C1[N+](=O)[O-])N

DOS

IR

Vibrations