Geometry & MOs

Info

ID:	322779
PubChem CID:	126671084
Reduced:	FO4N5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	174.141993
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	4.74
IP(EA), eV:	-8.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-2-fluoro-3-methyl-4-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3C=O)OC

DOS

IR

Vibrations