Geometry & MOs

Info

ID:	340472
PubChem CID:	127262483
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	278.98949
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	2.29
IP(EA), eV:	-8.4(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CCC(=C1)COC(=O)N2C=CC=CN2

DOS

IR

Vibrations