Geometry & MOs

Info

ID:	399739
PubChem CID:	135042147
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	180.034193
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	1.75
IP(EA), eV:	-10.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-phenylcyclobutan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C=C)O/C(=C\[N+]#N)/[O-]

DOS

IR

Vibrations