Geometry & MOs

Info

ID:	85655
PubChem CID:	49877883
Reduced:	BrON2H17C23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	446.156119
ΔH_f, kcal/mol:	72.66
Dipole, Da:	4.16
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-butylphenyl)-3-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C4=CC=CC=C4)Br

DOS

IR

Vibrations