Geometry & MOs

Info

ID:	48406
PubChem CID:	10544988
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	340.094688
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	6.58
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(C(CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)N)C

DOS

IR

Vibrations