Geometry & MOs

Info

ID:	445823
PubChem CID:	135269676
Reduced:	ON2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	59.44
Dipole, Da:	5.79
IP(EA), eV:	-10.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[3,5-dimethyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC#N)C#N

DOS

IR

Vibrations