Geometry & MOs

Info

ID:	272666
PubChem CID:	103750810
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-133.84
Dipole, Da:	4.45
IP(EA), eV:	-9.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-methylpentan-3-yl)-4-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=CC=CC(=C1)COC

DOS

IR

Vibrations