Geometry & MOs

Info

ID:	205563
PubChem CID:	80120864
Reduced:	ClF2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	212.101271
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	2.68
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4,7-difluoro-3,3,6-trimethyl-1,2-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2=C(C=C(C(=C2)F)C)F)Cl

DOS

IR

Vibrations