Geometry & MOs

Info

ID:	215881
PubChem CID:	85085382
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-119.28
Dipole, Da:	3.79
IP(EA), eV:	-9.94(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-3a-methyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol

Drug info:

PubChemData

Smile

CC1CCC(=O)C2C1CC(C2C)O

DOS

IR

Vibrations