Geometry & MOs

Info

ID:	399382
PubChem CID:	135039971
Reduced:	FNH12C15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	38.98
Dipole, Da:	2.22
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=N/C=C/C2=CC=C(C=C2)F

DOS

IR

Vibrations