Geometry & MOs

Info

ID:	241799
PubChem CID:	96024307
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	6.95
IP(EA), eV:	-9.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations