Geometry & MOs

Info

ID:	323240
PubChem CID:	126673759
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	2.22
IP(EA), eV:	-8.41(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[5-[(E)-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]pyridin-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CN/C(=C\C(=O)C(=O)N)/C=C3

DOS

IR

Vibrations