Geometry & MOs

Info

ID:	429859
PubChem CID:	135169912
Reduced:	ClON8H17C21 (1)
Stoich.:	ABC8D17E21 (1)
Weight, g/mol:	505.054481
ΔH_f, kcal/mol:	133.93
Dipole, Da:	9.4
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-[1-(3-chloroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-(triazol-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(=NC1=CC=NC2=CC=CC=C21)/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl

DOS

IR

Vibrations