Geometry & MOs

Info

ID:	180642
PubChem CID:	76663831
Reduced:	N4C7H10 (2)
Stoich.:	A4B7C10 (2)
Weight, g/mol:	444.287574
ΔH_f, kcal/mol:	143.47
Dipole, Da:	3.81
IP(EA), eV:	-8.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-hydroxy-9-(hydroxymethyl)-7-oxodecyl]-5-(3-hydroxy-5-phenylpentyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C)N(C)N=C2C(=NN3C2=NN=C3C)C

DOS

IR

Vibrations