Geometry & MOs

Info

ID:	127857
PubChem CID:	51019413
Reduced:	N2O3C28H28 (1)
Stoich.:	A2B3C28D28 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	4.73
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S)-3-acetylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]12C[C@H]([C@H](C(=O)N1C)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5O2

DOS

IR

Vibrations