Geometry & MOs

Info

ID:

191352

PubChem CID:

78135916

Reduced:

N3O8C47H61 (1)

Stoich.:

A3B8C47D61 (1)

Weight, g/mol:

551.268511

ΔHf, kcal/mol:

-220.23

Dipole, Da:

8.03

IP(EA), eV:

 -8.7(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4,6-bis(dimethylamino)-1,3,5-triazinan-2-ylidene]-2-methyl-4-(2-perylen-3-ylethynyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCN(C)CCNC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OC

DOS

IR

Vibrations