Geometry & MOs

Info

ID:	405857
PubChem CID:	135075732
Reduced:	O2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-192.03
Dipole, Da:	2.71
IP(EA), eV:	-10.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7aS)-6-ethenyl-3a,4,5,6,7,7a-hexahydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

C=CCC(=O)C(C(C1=CC=C(C=C1)F)O)(F)F

DOS

IR

Vibrations