Geometry & MOs

Info

ID:	128594
PubChem CID:	51051505
Reduced:	F3O5H13C17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	350.106671
ΔH_f, kcal/mol:	-293.01
Dipole, Da:	3.95
IP(EA), eV:	-9.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-azuleno[2,1-d]pyrimidine-10-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations