Geometry & MOs

Info

ID:	174017
PubChem CID:	75712620
Reduced:	FN2O2C26H35 (1)
Stoich.:	AB2C2D26E35 (1)
Weight, g/mol:	482.289306
ΔH_f, kcal/mol:	-137.32
Dipole, Da:	1.7
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-hexyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)C)C(=O)NC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations