Geometry & MOs

Info

ID:	419545
PubChem CID:	135108401
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	313.14895
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	1.63
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(2,6-difluoro-3-methylphenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CNC(=O)C=N3)CO

DOS

IR

Vibrations