Geometry & MOs

Info

ID:	59126
PubChem CID:	24771117
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	5.27
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,4-dihydroxyphenyl)-3-(4-ethylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)/C=C/C(=O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations