Geometry & MOs

Info

ID:	399445
PubChem CID:	135040317
Reduced:	LiN2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	23.27
Dipole, Da:	8.73
IP(EA), eV:	-6.85(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methylcyclohex-2-en-1-yl] (2S)-2-methyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)[N-][C@H](CN1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations