Geometry & MOs

Info

ID:

145029

PubChem CID:

53450433

Reduced:

FNO7H19C28 (1)

Stoich.:

ABC7D19E28 (1)

Weight, g/mol:

396.32664

ΔHf, kcal/mol:

-211.65

Dipole, Da:

3.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.144453

Charge, e:

 1

Chem-info

IUPAC name:

5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-piperidin-1-ium]

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)F)CC(=O)NC(C5=CC=C(C=C5)O)C(=O)[O-]

DOS

IR

Vibrations