Geometry & MOs

Info

ID:	204468
PubChem CID:	79967574
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	7.94
IP(EA), eV:	-9.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-amino-2-oxo-3-prop-2-ynyl-4H-imidazol-4-yl)benzoate

Drug info:

PubChemData

Smile

CCCCCCC1C(=NC(=O)N1C(C)C)N

DOS

IR

Vibrations