Geometry & MOs

Info

ID:	29043
PubChem CID:	831302
Reduced:	ClSN2O2H9C16 (1)
Stoich.:	ABC2D2E9F16 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	14.51
Dipole, Da:	1.68
IP(EA), eV:	-9.14(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-nitrophenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=C(C=CC(=C4)Cl)O)S3

DOS

IR

Vibrations