Geometry & MOs

Info

ID:	50079
PubChem CID:	12012581
Reduced:	SN2O5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	175.074562
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	6.91
IP(EA), eV:	-10.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-pyridin-3-ylmethylideneamino]oxypropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCO/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations