Geometry & MOs

Info

ID:	46553
PubChem CID:	10525153
Reduced:	O2C13H13 (2)
Stoich.:	A2B13C13 (2)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	6.1
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-3-(1-methylpiperidin-4-yl)-2-[[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]hydrazinylidene]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC3(CC3)CCCC4=CC=CC=C4

DOS

IR

Vibrations