Geometry & MOs

Info

ID:	135050
PubChem CID:	51804963
Reduced:	N2O2C21H38 (1)
Stoich.:	A2B2C21D38 (1)
Weight, g/mol:	386.293328
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	2.03
IP(EA), eV:	-9.47(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-propyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C/C)N(CCC)C(=O)CCC1CCCCC1

DOS

IR

Vibrations