Geometry & MOs

Info

ID:	402473
PubChem CID:	135056131
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-163.68
Dipole, Da:	2.1
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,8aR)-3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C2COCCCC3(CC2=C(CO3)C4=C1COC4)OC

DOS

IR

Vibrations