Geometry & MOs

Info

ID:	326477
PubChem CID:	126687642
Reduced:	NC17H37 (1)
Stoich.:	AB17C37 (1)
Weight, g/mol:	375.200985
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	1.98
IP(EA), eV:	-9.15(3.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S)-2-butoxy-6-(4-fluoro-N-(4-fluorophenyl)anilino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC(C)(C)CC(C)C(C)C(C)(C)CC(C)(C)N

DOS

IR

Vibrations