Geometry & MOs

Info

ID:	326478
PubChem CID:	126687644
Reduced:	NF2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	409.185335
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	5.68
IP(EA), eV:	-8.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCO[C@H]1CCC[C@@H]([C@H]1O)N(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations