Geometry & MOs

Info

ID:	430841
PubChem CID:	135170908
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	23.43
Dipole, Da:	4.3
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC2(CC2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations