Geometry & MOs

Info

ID:	220846
PubChem CID:	85240169
Reduced:	F3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	276.064726
ΔH_f, kcal/mol:	-312.02
Dipole, Da:	2.95
IP(EA), eV:	-10.21(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxocyclohexa-2,5-dien-1-ylidene)-[1,2,4]triazino[4,3-a]benzimidazol-4-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCCC2=CC(CCC12C(F)(F)F)O

DOS

IR

Vibrations