Geometry & MOs

Info

ID:

376541

PubChem CID:

134222559

Reduced:

SN3H37C48 (1)

Stoich.:

AB3C37D48 (1)

Weight, g/mol:

505.223766

ΔHf, kcal/mol:

226.05

Dipole, Da:

3.61

IP(EA), eV:

 -7.59(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[(2-bicyclo[2.2.1]hept-2-enylamino)-hydroxymethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC=C2C(=C1)C(=C(N2C3=CC=C(C=C3)C4=CC5=C(C=C4)SC6=C5C=C(C=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)/C=C\C=C)C

DOS

IR

Vibrations