Geometry & MOs

Info

ID:

14563

PubChem CID:

414833

Reduced:

N5O8C29H29 (1)

Stoich.:

A5B8C29D29 (1)

Weight, g/mol:

575.201613

ΔHf, kcal/mol:

-260.16

Dipole, Da:

5.28

IP(EA), eV:

 -8.69(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[[[4-(dimethylamino)-10,11,12a-trihydroxy-6-methyl-1,3,12-trioxo-4a,5-dihydro-4H-tetracen-2-ylidene]-hydroxymethyl]amino]methylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(NCNC5=NC=C(C=C5)C(=O)N)O)C(=O)C4(C3=O)O)N(C)C)O)O

DOS

IR

Vibrations