Geometry & MOs

Info

ID:	185138
PubChem CID:	77261015
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	526.25532
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	1.08
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-amino-3-(6-pyrrolidin-2-ylpyridin-3-yl)-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

C1C(CNC1CO)OC2=CC=C(C=C2)F

DOS

IR

Vibrations