Geometry & MOs

Info

ID:	83023
PubChem CID:	49857025
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	5.02
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[4-amino-2-(4-methoxy-3,5-dimethylphenyl)-5-methylimidazol-2-yl]phenyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations