Geometry & MOs

Info

ID:	124845
PubChem CID:	50898797
Reduced:	Br2Cl2N2O2H14C19 (1)
Stoich.:	A2B2C2D2E14F19 (1)
Weight, g/mol:	488.122688
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	4.84
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(=O)NC2=NC=C(C=C2)Br)OC3=CC=C(C=C3)Br)Cl.Cl

DOS

IR

Vibrations