Geometry & MOs

Info

ID:	225620
PubChem CID:	85856702
Reduced:	F4H16C23 (1)
Stoich.:	A4B16C23 (1)
Weight, g/mol:	412.145028
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	6.82
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butoxyphenyl)-2,6-difluorophenyl]-5,6-difluoro-1H-indene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C3=CC4=CC(=C(C=C4C3)F)F)F

DOS

IR

Vibrations