Geometry & MOs

Info

ID:	396835
PubChem CID:	135029295
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	2.37
IP(EA), eV:	-8.08(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-2-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CCC3=CC=CC=C3[C@H]2CC(=O)OC)OC

DOS

IR

Vibrations