Geometry & MOs

Info

ID:	37199
PubChem CID:	8018214
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-61.09
Dipole, Da:	2.44
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-phenoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations