Geometry & MOs

Info

ID:	241969
PubChem CID:	96024852
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	5.07
IP(EA), eV:	-8.84(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4

DOS

IR

Vibrations