Geometry & MOs

Info

ID:	193380
PubChem CID:	78385545
Reduced:	O11C26H38 (1)
Stoich.:	A11B26C38 (1)
Weight, g/mol:	266.094294
ΔH_f, kcal/mol:	-476.16
Dipole, Da:	2.4
IP(EA), eV:	-9.68(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)O)C)O)O

DOS

IR

Vibrations