Geometry & MOs

Info

ID:	441849
PubChem CID:	135245885
Reduced:	OF2N6H16C21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	68.58
Dipole, Da:	6.03
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2R)-2-[(3,4-dichlorophenoxy)methyl]cyclobutyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NOC(=N2)/C(=C(\C3=CC=NC=C3)/N(C4=CC=CC=C4F)N)/N)F

DOS

IR

Vibrations