Geometry & MOs

Info

ID:	402118
PubChem CID:	135054477
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-215.38
Dipole, Da:	5.07
IP(EA), eV:	-9.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@@]1(CCOC1=O)[C@H](C2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations