Geometry & MOs

Info

ID:	141546
PubChem CID:	52892471
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	437.079678
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	1.82
IP(EA), eV:	-8.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-2-(2,4-dichlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H](C1)OC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations