Geometry & MOs

Info

ID:	314627
PubChem CID:	126622496
Reduced:	N2O4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	5.0
IP(EA), eV:	-8.84(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(2-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations