Geometry & MOs

Info

ID:	391467
PubChem CID:	135005520
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-186.66
Dipole, Da:	4.11
IP(EA), eV:	-10.31(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,5R)-5-butyl-2-(2-oxopyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@H](O[C@H]2C(C(=C)C#N)O)OC)C

DOS

IR

Vibrations