Geometry & MOs

Info

ID:	180494
PubChem CID:	76642687
Reduced:	FSN5O9C33H42 (1)
Stoich.:	ABC5D9E33F42 (1)
Weight, g/mol:	202.013986
ΔH_f, kcal/mol:	-345.95
Dipole, Da:	5.9
IP(EA), eV:	-9.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-methoxyhex-3-en-2-one;nickel

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC4=NC5=C(O4)C=C(C=C5)F)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations