Geometry & MOs

Info

ID:	22319
PubChem CID:	596651
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-109.37
Dipole, Da:	4.15
IP(EA), eV:	-9.48(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)methanol

Drug info:

PubChemData

Smile

CC1(CCCC2(C1=CC(O2)CO)C)C

DOS

IR

Vibrations