Geometry & MOs

Info

ID:	241938
PubChem CID:	96024716
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	2.09
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C2=C(CCN1)C=C(C(=C2)C)C

DOS

IR

Vibrations