Geometry & MOs

Info

ID:	279562
PubChem CID:	103844343
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	5.9
IP(EA), eV:	-9.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3-methyl-5-nitropyridin-2-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=NC=C1)[N+](=O)[O-])CO

DOS

IR

Vibrations