Geometry & MOs

Info

ID:	322198
PubChem CID:	126669197
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	267.090686
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	0.27
IP(EA), eV:	-8.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(2E,4E)-2-fluoro-4-methoxyhepta-2,4-dien-6-ynyl]-2-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=N/OC(C)C

DOS

IR

Vibrations