Geometry & MOs

Info

ID:	399571
PubChem CID:	135040976
Reduced:	ON2H10C15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	66.79
Dipole, Da:	5.39
IP(EA), eV:	-10.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-N-[(1S)-1-phenylethyl]pent-4-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[C@H](C2=CC=C(C=C2)C#N)O)C#N

DOS

IR

Vibrations