Geometry & MOs

Info

ID:	338786
PubChem CID:	127259797
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-155.51
Dipole, Da:	3.33
IP(EA), eV:	-9.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylacetyl) (2S)-4-(hydroxymethyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(O)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations