Geometry & MOs

Info

ID:	448983
PubChem CID:	135294975
Reduced:	FON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	434.21697
ΔH_f, kcal/mol:	34.89
Dipole, Da:	4.4
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(4,4-difluorocyclohexyl)methyl]-3-(4-methylphenyl)indol-6-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1C(C(=NO1)C)C2=CC3=C(C(=CN3CC4=CC=CC=N4)F)N=C2

DOS

IR

Vibrations