Geometry & MOs

Info

ID:	48692
PubChem CID:	11110523
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	338.106671
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	3.27
IP(EA), eV:	-9.46(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C=CCCCCC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations