Geometry & MOs

Info

ID:

427852

PubChem CID:

135164445

Reduced:

O2N5H23C25 (1)

Stoich.:

A2B5C23D25 (1)

Weight, g/mol:

472.247441

ΔHf, kcal/mol:

22.28

Dipole, Da:

7.17

IP(EA), eV:

 -9.23(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-3-methyl-1-(4-spiro[1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,3'-2H-1-benzofuran]-4-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=N1)C2=NC3=C(C=C2)N=C4N3C5(CCC4)CC(=O)C6=CC=CC=C56)O

DOS

IR

Vibrations