Geometry & MOs

Info

ID:	173921
PubChem CID:	75700186
Reduced:	ClN2O2C30H33 (1)
Stoich.:	AB2C2D30E33 (1)
Weight, g/mol:	454.215384
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	1.02
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-cyclohexylhexanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N(C1=CC(=CC=C1)Cl)C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations