Geometry & MOs

Info

ID:

219672

PubChem CID:

85164421

Reduced:

N5O5H27C31 (1)

Stoich.:

A5B5C27D31 (1)

Weight, g/mol:

549.239258

ΔHf, kcal/mol:

-49.97

Dipole, Da:

6.89

IP(EA), eV:

 -8.73(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-diethoxyphosphorylpropan-2-yl)-1-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5-yl)methanimine oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3CC(=CCOC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)N

DOS

IR

Vibrations