Geometry & MOs

Info

ID:	341074
PubChem CID:	127263509
Reduced:	BrNPC26H31 (1)
Stoich.:	ABCD26E31 (1)
Weight, g/mol:	263.088161
ΔH_f, kcal/mol:	64.5
Dipole, Da:	23.62
IP(EA), eV:	-6.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

DOS

IR

Vibrations