Geometry & MOs

Info

ID:	415193
PubChem CID:	135088184
Reduced:	ClFNO5H11C14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-210.6
Dipole, Da:	7.57
IP(EA), eV:	-10.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=C(C=CC(=C3)Cl)F)C(=O)O)C(=O)O

DOS

IR

Vibrations