Geometry & MOs

Info

ID:	401262
PubChem CID:	135050726
Reduced:	OC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	2.6
IP(EA), eV:	-9.55(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-amino(phenyl)methyl]-N-[(E)-but-2-enyl]hexanamide

Drug info:

PubChemData

Smile

CCCCC1C(CO1)(C)C

DOS

IR

Vibrations