Geometry & MOs

Info

ID:	265894
PubChem CID:	103556007
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	270.082286
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	4.99
IP(EA), eV:	-8.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC=C2C(=O)CC3(CCC3)OC

DOS

IR

Vibrations