Geometry & MOs

Info

ID:	425122
PubChem CID:	135125224
Reduced:	ClN2O2H19C21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	231.985798
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.48
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-3-(4-fluorophenyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

C1CNCCC12OCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)Cl

DOS

IR

Vibrations