Geometry & MOs

Info

ID:	253440
PubChem CID:	103118449
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	261.090212
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	2.7
IP(EA), eV:	-9.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-phenyl-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2CCCCO2)CCN

DOS

IR

Vibrations