Geometry & MOs

Info

ID:	40124
PubChem CID:	8143601
Reduced:	BrO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	299.133043
ΔH_f, kcal/mol:	15.39
Dipole, Da:	9.07
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)Br)NCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations