Geometry & MOs

Info

ID:	253457
PubChem CID:	103118591
Reduced:	ON5H9C14 (1)
Stoich.:	AB5C9D14 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	112.55
Dipole, Da:	1.95
IP(EA), eV:	-9.97(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylindazol-3-yl)-3-oxo-2-pyridin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C#N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations