Geometry & MOs

Info

ID:	43769
PubChem CID:	10321762
Reduced:	ClN2O5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	10.71
IP(EA), eV:	-8.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)C(=O)O)C3=CN=C(N3)C4CC4)OC.Cl

DOS

IR

Vibrations