Geometry & MOs

Info

ID:	191332
PubChem CID:	78132468
Reduced:	BrNO3C31H34 (1)
Stoich.:	ABC3D31E34 (1)
Weight, g/mol:	475.129884
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	1.06
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylimidazol-4-yl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CCN(C1)C(C)COC2=CC=C(C=C2)C3C(=C(C4=C(O3)C=CC(=C4)O)C)C5=C(C=C(C=C5)Br)C

DOS

IR

Vibrations