Geometry & MOs

Info

ID:	130938
PubChem CID:	51132431
Reduced:	Cl2O2N4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(hexanoylamino)phenyl]methyl]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC(=O)NCC2=CC(=CC=C2)NC(=O)CNC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations