Geometry & MOs

Info

ID:	26806
PubChem CID:	798585
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	3.76
IP(EA), eV:	-8.98(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-8-[(1S)-1-hydroxyethyl]-4-methylfuro[2,3-h]chromen-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)COC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations