Geometry & MOs

Info

ID:	173993
PubChem CID:	75709830
Reduced:	NOC13H20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	2.49
IP(EA), eV:	-9.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-hexyl-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C(CC)CC)C(=O)NCCCC)C(=O)C#CC1=CC=CC=C1

DOS

IR

Vibrations