Geometry & MOs

Info

ID:	286656
PubChem CID:	104179613
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	1.47
IP(EA), eV:	-9.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations