Geometry & MOs

Info

ID:

376929

PubChem CID:

134222962

Reduced:

N7O9C42H81 (1)

Stoich.:

A7B9C42D81 (1)

Weight, g/mol:

613.261294

ΔHf, kcal/mol:

-463.39

Dipole, Da:

1.93

IP(EA), eV:

 -8.27(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[[3-(2-fluorophenyl)-3-tricyclo[3.2.1.02,4]octanyl]amino]-hydroxymethyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNCCC(=O)OCCCCCOC(=O)CCN(CCCCCCO)CCC(=O)OCCCOC(=O)CCNCCCN2CCN(CC2)C

DOS

IR

Vibrations