Geometry & MOs

Info

ID:	202437
PubChem CID:	79672325
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	6.01
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,3-dimethoxyazetidin-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1CN(C1)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations