Geometry & MOs

Info

ID:	135053
PubChem CID:	51805275
Reduced:	NOC11H20 (2)
Stoich.:	ABC11D20 (2)
Weight, g/mol:	434.314458
ΔH_f, kcal/mol:	-139.77
Dipole, Da:	4.78
IP(EA), eV:	-9.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-ethyl-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(CCC)[C@@H](/C=C/CCC)C(=O)NC(C)(C)C

DOS

IR

Vibrations