Geometry & MOs

Info

ID:	32391
PubChem CID:	7755873
Reduced:	NO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-196.23
Dipole, Da:	4.98
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC=C2CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations