Geometry & MOs

Info

ID:	265755
PubChem CID:	103544522
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	3.24
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(1,3-benzodioxol-5-yl)-2-methylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C=NC(=C2N)C(=O)OC)OC

DOS

IR

Vibrations