Geometry & MOs

Info

ID:	216440
PubChem CID:	85086243
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	10.29
IP(EA), eV:	-10.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2-fluorophenyl)-1,2,4-triazolidin-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(C(=O)NC1C2=CC=CC=N2)C#N

DOS

IR

Vibrations