Geometry & MOs

Info

ID:	275972
PubChem CID:	103819583
Reduced:	BrN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	259.035983
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	1.79
IP(EA), eV:	-9.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(=O)NCCCO

DOS

IR

Vibrations