Geometry & MOs

Info

ID:	36846
PubChem CID:	8013716
Reduced:	NO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-229.01
Dipole, Da:	4.71
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(2,5-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)OC(=O)CC1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations