Geometry & MOs

Info

ID:	268915
PubChem CID:	103602153
Reduced:	NCl2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	1.55
IP(EA), eV:	-9.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)COC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations