Geometry & MOs

Info

ID:	29329
PubChem CID:	832990
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	2.98
IP(EA), eV:	-8.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-N-phenylbutanediamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(C3=CC=CC=C23)OC

DOS

IR

Vibrations