Geometry & MOs

Info

ID:	55336
PubChem CID:	17390066
Reduced:	ClNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	3.61
IP(EA), eV:	-9.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methylphenyl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=N1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations