Geometry & MOs

Info

ID:	326166
PubChem CID:	126686855
Reduced:	ClFON6C18H20 (1)
Stoich.:	ABCD6E18F20 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	1.9
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bicyclo[3.2.0]hept-4-enyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1(CCC[C@@H](C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)ON

DOS

IR

Vibrations