Geometry & MOs

Info

ID:	417704
PubChem CID:	135102527
Reduced:	NF2O5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-256.09
Dipole, Da:	6.79
IP(EA), eV:	-10.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3,4-dimethylphenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)F

DOS

IR

Vibrations