Geometry & MOs

Info

ID:	5535
PubChem CID:	13295
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	4.04
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-pyridin-4-ylchromen-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=NC=C3

DOS

IR

Vibrations