Geometry & MOs

Info

ID:	190270
PubChem CID:	77979177
Reduced:	FON6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	467.168143
ΔH_f, kcal/mol:	27.22
Dipole, Da:	7.06
IP(EA), eV:	-8.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-[1-(3-aminopyrrolidin-1-yl)-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinolin-8-yl]oxyacetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C=CC(=NC2=C1)C3=NN=C4N3C=C(C=C4)C(C)N5CCC(C5)N)F

DOS

IR

Vibrations