Geometry & MOs

Info

ID:	327106
PubChem CID:	126689007
Reduced:	NSO10C21H31 (1)
Stoich.:	ABC10D21E31 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-474.93
Dipole, Da:	6.08
IP(EA), eV:	-10.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 1H-imidazole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OCOC(=O)N[C@@H](CSC(=O)OCOC(=O)C2CCCCC2)C(=O)O

DOS

IR

Vibrations