Geometry & MOs

Info

ID:

318687

PubChem CID:

126652709

Reduced:

SN3H29C44 (1)

Stoich.:

AB3C29D44 (1)

Weight, g/mol:

536.269988

ΔHf, kcal/mol:

232.02

Dipole, Da:

5.92

IP(EA), eV:

 -8.11(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[2-(3-fluorophenyl)ethylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC7=C6SC8=CC=CC=C78)C9=CC=C(C=C9)C#N)/C=C\C=C

DOS

IR

Vibrations