Geometry & MOs

Info

ID:	376482
PubChem CID:	134222497
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	586.21401
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	2.69
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOOC(=O)C1CCN(CC1)CC2=NC3=C(C=C2)C=C(C=C3)OC4CCCCC4

DOS

IR

Vibrations