Geometry & MOs

Info

ID:	230452
PubChem CID:	87570930
Reduced:	ClO2N6C32H41 (1)
Stoich.:	AB2C6D32E41 (1)
Weight, g/mol:	339.168188
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	6.67
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[1-(5-methylfuran-2-yl)ethylideneamino]oxybutyl]-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N3C(CN(C3=O)C(C)C4=CC=CN4)C5=CC=CC=C5)C)Cl

DOS

IR

Vibrations