Geometry & MOs

Info

ID:

49843

PubChem CID:

11533945

Reduced:

N11H25C30 (1)

Stoich.:

A11B25C30 (1)

Weight, g/mol:

539.294806

ΔHf, kcal/mol:

313.15

Dipole, Da:

4.25

IP(EA), eV:

 -8.87(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-N-cyclopropyl-4-[3-(2-fluorophenyl)phenyl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=CC1=N)C2=C(C(=NC(=C2N3C=CC(=N)C=C3)N4C=CC(=N)C=C4)N5C=CC(=N)C=C5)N6C=CC(=N)C=C6

DOS

IR

Vibrations