Geometry & MOs

Info

ID:	39028
PubChem CID:	8138390
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	416.110112
ΔH_f, kcal/mol:	83.02
Dipole, Da:	3.03
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)SC3=NC=NC4=CC=CC=C43

DOS

IR

Vibrations