Geometry & MOs

Info

ID:	125800
PubChem CID:	50939119
Reduced:	Cl2N2O2H10C13 (1)
Stoich.:	A2B2C2D10E13 (1)
Weight, g/mol:	330.03829
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	7.44
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NN/C=C\2/C=CC(=O)C=C2O)Cl

DOS

IR

Vibrations