Geometry & MOs

Info

ID:	179364
PubChem CID:	76471159
Reduced:	F2O3N4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	462.061249
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	6.3
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-[1-(methoxymethoxy)-2,3-dihydro-1H-inden-5-yl]butan-1-one

Drug info:

PubChemData

Smile

CC12C(CCCO1)OC3=C(C24C(=O)N(C(=N4)N)C)C=C(C(=C3)F)C5=C(N=CC=C5)F

DOS

IR

Vibrations