Geometry & MOs

Info

ID:	55317
PubChem CID:	17390045
Reduced:	NCl2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	4.45
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations