Geometry & MOs

Info

ID:	396176
PubChem CID:	135027585
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	6.06
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,10bS)-2-(2-hydroxyethyl)-8-methoxy-1-phenyl-2,5,6,10b-tetrahydro-1H-pyrazolo[5,1-a]isoquinolin-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C2C=CC(=O)O2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations