Geometry & MOs

Info

ID:	135051
PubChem CID:	51805215
Reduced:	NOC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	364.308979
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	1.25
IP(EA), eV:	-9.2(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(E,2S)-1-(tert-butylamino)-1-oxohept-3-en-2-yl]-N-propyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(CCC)[C@@H](C1=CC=CC=C1C)C(=O)NCCCC

DOS

IR

Vibrations