Geometry & MOs

Info

ID:	326572
PubChem CID:	126687809
Reduced:	ON2F3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	5.91
IP(EA), eV:	-9.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methanol

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)C(F)(F)F)CN3CCC4=NOC=C4C3

DOS

IR

Vibrations