Geometry & MOs

Info

ID:	279605
PubChem CID:	103844446
Reduced:	O3N4C11H20 (1)
Stoich.:	A3B4C11D20 (1)
Weight, g/mol:	286.06808
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	7.8
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(N=CN1C)[N+](=O)[O-])CO

DOS

IR

Vibrations