Geometry & MOs

Info

ID:	376974
PubChem CID:	134223009
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	498.21393
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	3.84
IP(EA), eV:	-8.85(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[hydroxy-[(4-hydroxypyrrolidin-3-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN[C@H]1COCC2=C1C=C(C=C2)OC

DOS

IR

Vibrations