Geometry & MOs

Info

ID:

376130

PubChem CID:

134222133

Reduced:

FO2N5C20H22 (1)

Stoich.:

AB2C5D20E22 (1)

Weight, g/mol:

659.339944

ΔHf, kcal/mol:

-49.29

Dipole, Da:

7.04

IP(EA), eV:

 -9.13(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1',1',5',5'-tetramethyl-5-(4-morpholin-4-ylphenyl)-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,3'-cyclohexane]-10-carbaldehyde

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)N[C@@H]2CNC[C@@H]2F)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations