Geometry & MOs

Info

ID:	315477
PubChem CID:	126626934
Reduced:	BrFH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	511.22712
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	1.28
IP(EA), eV:	-9.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[4-[[4-[4-(1,5-dimethyl-1,2,4-triazol-3-yl)-2,6-dimethylphenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2C1)Br)F

DOS

IR

Vibrations