Geometry & MOs

Info

ID:	146995
PubChem CID:	53776966
Reduced:	FNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	466.30831
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	4.0
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CNCC(=O)OC1=CC=C(C=C1)F

DOS

IR

Vibrations