Geometry & MOs

Info

ID:	342164
PubChem CID:	127264877
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	3.32
IP(EA), eV:	-8.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C=CC3=C(C=NC=C3)C#N

DOS

IR

Vibrations