Geometry & MOs

Info

ID:	393629
PubChem CID:	135021316
Reduced:	NO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	611.368284
ΔH_f, kcal/mol:	-166.73
Dipole, Da:	8.78
IP(EA), eV:	-8.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[12-[[2-[2-(3,4-dihydroxyphenyl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]dodecylamino]-4-[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)C1=O)NCCCCCCCCCCCCNC2=C(C(=O)C2=O)OCC

DOS

IR

Vibrations