Geometry & MOs

Info

ID:	293048
PubChem CID:	117372293
Reduced:	ClFNO3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	247.057548
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	4.72
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)cyclobutyl]-4-chloro-3,6-difluorophenol

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C(=C2)CON)F)Cl)OC1

DOS

IR

Vibrations