Geometry & MOs

Info

ID:	295962
PubChem CID:	117548689
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	6.66
IP(EA), eV:	-9.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyloxetan-3-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1(COC1)C2=CC=CC=N2

DOS

IR

Vibrations