Geometry & MOs

Info

ID:	146265
PubChem CID:	53661325
Reduced:	ClFO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	2.17
IP(EA), eV:	-9.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OC(=O)CCCCl

DOS

IR

Vibrations