Geometry & MOs

Info

ID:

427468

PubChem CID:

135159195

Reduced:

NS2C50H51 (1)

Stoich.:

AB2C50D51 (1)

Weight, g/mol:

514.236876

ΔHf, kcal/mol:

226.62

Dipole, Da:

1.62

IP(EA), eV:

 -7.87(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(1,2,3,4-tetrahydropyridin-6-yl)spiro[5,6,7,8-tetrahydroxanthene-9,9'-xanthene]-3-yl]-1,4-dihydro-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1CC2C(C=C1)C3(C4CCC=C(C4SC5C3C=C(C=C5)C6CCCCC6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CCCC=C1S2

DOS

IR

Vibrations