Geometry & MOs

Info

ID:	279571
PubChem CID:	103844365
Reduced:	OF3N3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-186.55
Dipole, Da:	3.52
IP(EA), eV:	-9.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=CC(=N1)C(F)(F)F)CO

DOS

IR

Vibrations