Geometry & MOs

Info

ID:	275971
PubChem CID:	103819582
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	258.00039
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	3.52
IP(EA), eV:	-9.43(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)NCCCO

DOS

IR

Vibrations