Geometry & MOs

Info

ID:	399642
PubChem CID:	135041411
Reduced:	OSiC18H28 (1)
Stoich.:	ABC18D28 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	1.13
IP(EA), eV:	-9.18(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1C/C(=C/[Si](C)(C)C)/C[C@@H](O1)C2=CC=CC=C2

DOS

IR

Vibrations