Geometry & MOs

Info

ID:	279555
PubChem CID:	103844313
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	331.05315
ΔH_f, kcal/mol:	39.23
Dipole, Da:	8.4
IP(EA), eV:	-9.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-bromo-5-nitropyridin-2-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NN=NN1C2=CC=CC=C2)CO

DOS

IR

Vibrations