Geometry & MOs

Info

ID:

187208

PubChem CID:

77543823

Reduced:

SO5H48C50 (1)

Stoich.:

AB5C48D50 (1)

Weight, g/mol:

410.181727

ΔHf, kcal/mol:

-49.35

Dipole, Da:

2.08

IP(EA), eV:

 -8.63(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-hydroxy-2-[1-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=C3C=C(SC3=CC=C2)C4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations