Geometry & MOs

Info

ID:

427469

PubChem CID:

135159196

Reduced:

O2N4H30C33 (1)

Stoich.:

A2B4C30D33 (1)

Weight, g/mol:

523.319878

ΔHf, kcal/mol:

123.77

Dipole, Da:

2.91

IP(EA), eV:

 -8.12(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[2-[(8aR)-6-(2,3,4,5-tetrahydropyridin-2-yl)spiro[4a,5,6,7,8,8a,9a,10a-octahydroxanthene-9,9'-xanthene]-3-yl]propyl]methanediamine

Drug info:

PubChemData

Smile

C1CC=C(NC1)C2CCC3=C(C2)OC4=C(C35C6=CC=CC=C6OC7=CC=CC=C57)C=CC(=C4)C8N=CNC=N8

DOS

IR

Vibrations