Geometry & MOs

Info

ID:

217895

PubChem CID:

85088545

Reduced:

FSN3O5C18H21 (1)

Stoich.:

ABC3D5E18F21 (1)

Weight, g/mol:

409.215413

ΔHf, kcal/mol:

-206.01

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.922904

Charge, e:

 0

Chem-info

IUPAC name:

[5-(dibenzylamino)-1H-indol-3-yl]-pyrrolidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC(C1C2C(C(=C(N2C1=O)C(=O)O)CSC3=CC=[N+](C=C3)CC(=O)N)CF)O

DOS

IR

Vibrations