Geometry & MOs

Info

ID:	321817
PubChem CID:	126667014
Reduced:	F2O3N7H21C22 (1)
Stoich.:	A2B3C7D21E22 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	7.73
IP(EA), eV:	-9.17(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azacycloundec-1-yl-[3-(1-hydroxyethyl)-1-(5-hydroxypyrimidin-2-yl)indazol-6-yl]methanone

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=CC(=CC(=C5)C#N)F)F)O

DOS

IR

Vibrations