Geometry & MOs

Info

ID:	135547
PubChem CID:	51890552
Reduced:	N4C16H25 (1)
Stoich.:	A4B16C25 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	63.51
Dipole, Da:	2.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752602
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(cyclohexanecarbonyl)hydrazinyl]-N-ethylbut-2-enamide

Drug info:

PubChemData

Smile

C[NH+](CCCNC1=C(C=CC=N1)C#N)C2CCCCC2

DOS

IR

Vibrations