Geometry & MOs

Info

ID:

185853

PubChem CID:

77360685

Reduced:

O2N7C22H27 (1)

Stoich.:

A2B7C22D27 (1)

Weight, g/mol:

571.25298

ΔHf, kcal/mol:

47.64

Dipole, Da:

4.4

IP(EA), eV:

 -8.78(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dimethylamino)-1,10,11,12a-tetrahydroxy-8-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-7-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=NC=C(C=C2)C3NNNN3)C4=CC=CC=C4C(=O)C

DOS

IR

Vibrations