Geometry & MOs

Info

ID:	151270
PubChem CID:	53790970
Reduced:	FO5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-273.19
Dipole, Da:	4.53
IP(EA), eV:	-8.95(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethyl-5-pyrrolidin-1-ylcyclohexa-1,5-dien-1-yl)pentane-2,4-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H]1F)CCCCCCC(=O)O)C=C[C@H](COC2=CC=CC=C2)O)O

DOS

IR

Vibrations