Geometry & MOs

Info

ID:	448682
PubChem CID:	135292783
Reduced:	NO3C42H85 (1)
Stoich.:	AB3C42D85 (1)
Weight, g/mol:	179.074642
ΔH_f, kcal/mol:	-281.26
Dipole, Da:	2.77
IP(EA), eV:	-8.89(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4S)-2-azabicyclo[2.1.0]pentan-1-yl]-2-fluorophenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O/N=C(\C)/CCC(C)(C)OCCC(C)(C)OC

DOS

IR

Vibrations