Geometry & MOs

Info

ID:	37198
PubChem CID:	8018212
Reduced:	NO2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-54.57
Dipole, Da:	4.38
IP(EA), eV:	-9.32(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations