Geometry & MOs

Info

ID:	424316
PubChem CID:	135122176
Reduced:	ClNO2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	1.8
Dipole, Da:	3.56
IP(EA), eV:	-10.35(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethenylphenyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C#CC(=O)O)Cl

DOS

IR

Vibrations