Geometry & MOs

Info

ID:	193377
PubChem CID:	78385023
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-180.57
Dipole, Da:	2.95
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1a-(hydroxymethyl)-5-(4-methylpent-3-enyl)-2a,6a-dihydro-2H-oxireno[2,3-f][1]benzofuran-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)C(C)C=CC(C(C)(C)O)O)O

DOS

IR

Vibrations