Geometry & MOs

Info

ID:

49518

PubChem CID:

11533161

Reduced:

F2O2N6C25H30 (1)

Stoich.:

A2B2C6D25E30 (1)

Weight, g/mol:

484.174454

ΔHf, kcal/mol:

-115.91

Dipole, Da:

6.89

IP(EA), eV:

 -8.7(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN1C[C@@H](CC[C@H](C1)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=C(C(=CC=C5)F)F

DOS

IR

Vibrations