Geometry & MOs

Info

ID:	282145
PubChem CID:	103917000
Reduced:	BrN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	2.85
IP(EA), eV:	-9.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=NC(=CC=C1)Br

DOS

IR

Vibrations