Geometry & MOs

Info

ID:	172344
PubChem CID:	75497196
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	235.075705
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	5.56
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)methyl 5-fluoropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=CN=C1COC(=O)C2=NC=C(C=C2)Br

DOS

IR

Vibrations