Geometry & MOs

Info

ID:	279561
PubChem CID:	103844341
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	6.44
IP(EA), eV:	-9.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3-nitropyridin-4-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=N1)[N+](=O)[O-])C#N)CO

DOS

IR

Vibrations