Geometry & MOs

Info

ID:	205186
PubChem CID:	80066116
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	3.38
IP(EA), eV:	-9.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-methoxypyridin-3-yl)methyl]-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CC2=NC=C(N2)C(=O)O

DOS

IR

Vibrations