Geometry & MOs

Info

ID:	340473
PubChem CID:	127262484
Reduced:	BrNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	2.11
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) 2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=CN1C(=O)OC2=CC(=CC=C2)Br

DOS

IR

Vibrations