Geometry & MOs

Info

ID:	279886
PubChem CID:	103845529
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	300.08373
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	4.51
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(N=C2N1C=CC=C2)C)CO

DOS

IR

Vibrations