Geometry & MOs

Info

ID:

424835

PubChem CID:

135124144

Reduced:

O3N4C34H36 (1)

Stoich.:

A3B4C34D36 (1)

Weight, g/mol:

596.243498

ΔHf, kcal/mol:

-3.79

Dipole, Da:

2.78

IP(EA), eV:

 -8.4(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5'-[2-(2-fluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-7'-yl]oxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C6=CC=NN6C7=CC=CC=C7

DOS

IR

Vibrations