Geometry & MOs

Info

ID:	174006
PubChem CID:	75711714
Reduced:	N3O3C26H41 (1)
Stoich.:	A3B3C26D41 (1)
Weight, g/mol:	485.252586
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	6.34
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-hexyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C=CCCC)C(=O)NCCCC)C(=O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations