Geometry & MOs

Info

ID:	127720
PubChem CID:	51012639
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	2.11
IP(EA), eV:	-9.49(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4S)-3-[(4-carboxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]([C@@H](O1)CCO2)OCC3=CC=CC=C3

DOS

IR

Vibrations