Geometry & MOs

Info

ID:	27420
PubChem CID:	821257
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	2.86
Dipole, Da:	7.55
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-benzylidene-N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxybutanehydrazide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations