Geometry & MOs

Info

ID:	437148
PubChem CID:	135215198
Reduced:	NH15C21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	396.146091
ΔH_f, kcal/mol:	89.89
Dipole, Da:	1.68
IP(EA), eV:	-7.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=CC4=CC5=CC=CC=C5C=C4C=C31

DOS

IR

Vibrations