Geometry & MOs

Info

ID:	305019
PubChem CID:	124766433
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-156.72
Dipole, Da:	9.06
IP(EA), eV:	-9.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-[2-carboxyethyl(phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)N(CCC(=O)O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations