Geometry & MOs

Info

ID:

427481

PubChem CID:

135159299

Reduced:

O2N4C39H40 (1)

Stoich.:

A2B4C39D40 (1)

Weight, g/mol:

681.335528

ΔHf, kcal/mol:

153.87

Dipole, Da:

1.43

IP(EA), eV:

 -8.16(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[5-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]cyclohex-3-en-1-yl]spiro[1,2-dihydroxanthene-9,9'-xanthene]-3'-yl]-3-[(Z)-prop-1-enyl]indol-2-amine

Drug info:

PubChemData

Smile

C/C=C\C1=C(N(C2C1CCC=C2)C3=CC4=C(C=C3)C5(C6C=CC=CC6OC7C5C=CC(=C7)C8NCCN8)C9=CC=CC=C9O4)N

DOS

IR

Vibrations