Geometry & MOs

Info

ID:	241638
PubChem CID:	96023892
Reduced:	NC19H23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	10.76
Dipole, Da:	2.23
IP(EA), eV:	-8.69(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2C3=C(CCN2)C=CC(=C3C)C)C

DOS

IR

Vibrations