Geometry & MOs

Info

ID:	161930
PubChem CID:	57393098
Reduced:	O2N3H15C22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	313.09636
ΔH_f, kcal/mol:	49.02
Dipole, Da:	10.72
IP(EA), eV:	-9.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-[4-(1H-pyrazol-4-yl)phenyl]-1H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC=C(C=C2)C3=C(C(=O)C4=C(N3)C=CN=C4)C#N

DOS

IR

Vibrations