Geometry & MOs

Info

ID:	340995
PubChem CID:	127263430
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	206.009434
ΔH_f, kcal/mol:	11.8
Dipole, Da:	1.64
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylimidazole-4,5-dicarboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCOC(C1)N2C3=CN=C(C=C3C=N2)C4=CC(=CN=C4)NC(=O)C5CCC5

DOS

IR

Vibrations