Geometry & MOs

Info

ID:	340500
PubChem CID:	127262511
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-12.49
Dipole, Da:	4.96
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-formylphenyl)ethyl 1H-imidazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)N)Cl)OC(=O)C2=NNN=C2

DOS

IR

Vibrations