Geometry & MOs

Info

ID:	156094
PubChem CID:	56369114
Reduced:	BrN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	391.06439
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	3.32
IP(EA), eV:	-8.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCC(CC2)OC3=CC(=C(C=C3)C)C)Br

DOS

IR

Vibrations