Geometry & MOs

Info

ID:	216616
PubChem CID:	85086506
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	1.16
IP(EA), eV:	-8.58(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-1H-pyrano[3,4-b][1]benzofuran-4-yl)hex-4-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C(C2=CC(=CC(=C2)OC)OC)O

DOS

IR

Vibrations