Geometry & MOs

Info

ID:	63008
PubChem CID:	26737966
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	16.72
Dipole, Da:	5.77
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations