Geometry & MOs

Info

ID:	434336
PubChem CID:	135174700
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	321.210407
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	1.37
IP(EA), eV:	-8.8(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(ethylamino)cyclobutyl]oxy-5-fluorophenyl]-4-methylhexan-3-one

Drug info:

PubChemData

Smile

CCNCCOC1=CC=CC(=C1)CCC(=O)C(C)C

DOS

IR

Vibrations