Geometry & MOs

Info

ID:	279255
PubChem CID:	103842304
Reduced:	BrClON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	40.72
Dipole, Da:	2.67
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations