Geometry & MOs

Info

ID:	169126
PubChem CID:	75067538
Reduced:	ClN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	4.91
IP(EA), eV:	-8.38(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]pyridin-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CC(=N3)C=CC(=O)NO.Cl

DOS

IR

Vibrations