Geometry & MOs

Info

ID:

376480

PubChem CID:

134222495

Reduced:

NO4C19H21 (1)

Stoich.:

AB4C19D21 (1)

Weight, g/mol:

628.255794

ΔHf, kcal/mol:

-151.83

Dipole, Da:

4.3

IP(EA), eV:

 -8.98(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[2-(2-oxooxolan-3-yl)-3,4-dihydro-1H-isoquinolin-5-yl]carbamoyl]pyrrolidin-1-yl]-2-hydroxyethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)O

DOS

IR

Vibrations