Geometry & MOs

Info

ID:	401855
PubChem CID:	135052982
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	6.22
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-3-methylbenzo[f]chromen-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(CC3=C(O2)C(=CC(=C3)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations