Geometry & MOs

Info

ID:	156381
PubChem CID:	56370353
Reduced:	Cl2O2N3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	367.128054
ΔH_f, kcal/mol:	-63.68
Dipole, Da:	2.96
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)CCCC3=CC=CC=C3

DOS

IR

Vibrations