Geometry & MOs

Info

ID:

215391

PubChem CID:

85084669

Reduced:

PSSiN3O6C49H56 (1)

Stoich.:

ABCD3E6F49G56 (1)

Weight, g/mol:

437.32938

ΔHf, kcal/mol:

-182.7

Dipole, Da:

9.27

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-methyl-2-(3-phenylmethoxypropyl)-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-6-en-14-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1C(N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)OC)C(CC#N)C(CSC6=CC=NC=C6)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations