Geometry & MOs

Info

ID:	81859
PubChem CID:	49855263
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	683.431628
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	0.7
IP(EA), eV:	-8.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5-methyl-3,5-bis(2-methylpiperidin-1-yl)cyclopent-2-ene-1,2-diol;oxygen(2-);vanadium(4+)

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=C2)C(=O)NCC(C3=CC=CC=C3)O

DOS

IR

Vibrations