Geometry & MOs

Info

ID:

376521

PubChem CID:

134222539

Reduced:

BrN6O7H29C31 (1)

Stoich.:

AB6C7D29E31 (1)

Weight, g/mol:

531.214264

ΔHf, kcal/mol:

-13.65

Dipole, Da:

13.31

IP(EA), eV:

 -8.52(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-(1,2,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCOC1=C(C=CC(=C1)Br)C(=O)O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3OC)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations