Geometry & MOs

Info

ID:	279604
PubChem CID:	103844443
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	256.153541
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	1.47
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=CN=C1N)CO

DOS

IR

Vibrations