Geometry & MOs

Info

ID:	323350
PubChem CID:	126674449
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	412.99623
ΔH_f, kcal/mol:	40.71
Dipole, Da:	2.03
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CC[C@H](C3=CC=C2)N)C)C4=NOC(=N4)C

DOS

IR

Vibrations