Geometry & MOs

Info

ID:	216989
PubChem CID:	85087080
Reduced:	F3O5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	320.09094
ΔH_f, kcal/mol:	-383.49
Dipole, Da:	4.17
IP(EA), eV:	-10.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-3-ylmethyl)pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(C1OC3(CCCCC3)OC2=O)C(F)(F)F

DOS

IR

Vibrations