Geometry & MOs

Info

ID:	241968
PubChem CID:	96024849
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	3.4
IP(EA), eV:	-8.91(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[(1S)-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]3C[C@H](CN3)O

DOS

IR

Vibrations