Geometry & MOs

Info

ID:	299569
PubChem CID:	117687819
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	3.31
IP(EA), eV:	-9.21(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5,7,7a-pentamethyl-1,3a,4,5-tetrahydro-2-benzofuran

Drug info:

PubChemData

Smile

CCC(CC)(C1CC(=CCC1CO)C)O

DOS

IR

Vibrations