Geometry & MOs

Info

ID:	168704
PubChem CID:	75005876
Reduced:	ClNC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	354.064983
ΔH_f, kcal/mol:	39.93
Dipole, Da:	19.17
IP(EA), eV:	-7.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[6-oxo-3-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]methyl]-2-phenylethanethiohydrazide

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)C=CC2=CC=CC3=CC=CC=C32.[Cl-]

DOS

IR

Vibrations