Geometry & MOs

Info

ID:	341843
PubChem CID:	127264536
Reduced:	FON2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	148.052429
ΔH_f, kcal/mol:	-33.01
Dipole, Da:	1.86
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(C#N)N)O

DOS

IR

Vibrations