Geometry & MOs

Info

ID:	37727
PubChem CID:	8023750
Reduced:	ClO2N6H11C14 (1)
Stoich.:	AB2C6D11E14 (1)
Weight, g/mol:	374.981848
ΔH_f, kcal/mol:	38.29
Dipole, Da:	1.26
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-3,5,6-trichloro-N'-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyridin-1-ium-2-carbohydrazide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

DOS

IR

Vibrations