Geometry & MOs

Info

ID:	443926
PubChem CID:	135260557
Reduced:	N5H21C24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	536.228437
ΔH_f, kcal/mol:	142.69
Dipole, Da:	4.07
IP(EA), eV:	-8.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[4-[6-(3-cyanophenyl)-2-(oxolan-3-ylamino)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=C4C(=C3C5=CCC(CC5)C#N)C=CN4

DOS

IR

Vibrations