Geometry & MOs

Info

ID:	283239
PubChem CID:	103966838
Reduced:	NC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	5.17
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-hydroxy-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C#N)NC2CC(CC(C2)(C)C)(C)C

DOS

IR

Vibrations