Geometry & MOs

Info

ID:	286657
PubChem CID:	104179614
Reduced:	FNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	0.82
IP(EA), eV:	-9.18(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[[3-(4-fluorophenyl)cyclobutyl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)C(CNC1CC(C1)C2=CC(=CC=C2)F)O

DOS

IR

Vibrations