Geometry & MOs

Info

ID:	282144
PubChem CID:	103916994
Reduced:	BrO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	272.01604
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	5.3
IP(EA), eV:	-9.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(4-hydroxybutan-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CC=N1)C(=O)C2=NC(=CC=C2)Br

DOS

IR

Vibrations