Geometry & MOs

Info

ID:

11446

PubChem CID:

115686

Reduced:

NO11C26H31 (1)

Stoich.:

AB11C26D31 (1)

Weight, g/mol:

533.189711

ΔHf, kcal/mol:

-423.29

Dipole, Da:

4.19

IP(EA), eV:

 -8.88(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxypropane-1,2,3-tricarboxylic acid;1-(2'-methoxyspiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=C2C=C(C=C4)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations