Geometry & MOs

Info

ID:	294131
PubChem CID:	117427455
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	4.08
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1C(=O)CNC)Cl)OCCO2

DOS

IR

Vibrations