Geometry & MOs

Info

ID:	241640
PubChem CID:	96023901
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	7.04
IP(EA), eV:	-9.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC=C(O3)C(=O)O

DOS

IR

Vibrations