Geometry & MOs

Info

ID:	241937
PubChem CID:	96024708
Reduced:	NC20H31 (1)
Stoich.:	AB20C31 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	1.88
IP(EA), eV:	-8.7(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3CCC(CC3)C(C)C

DOS

IR

Vibrations