Geometry & MOs

Info

ID:

144287

PubChem CID:

53344871

Reduced:

F2O4N7C36H37 (1)

Stoich.:

A2B4C7D36E37 (1)

Weight, g/mol:

525.179475

ΔHf, kcal/mol:

-147.9

Dipole, Da:

9.33

IP(EA), eV:

 -8.65(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-chloropyridin-4-yl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2C[C@@H]3CN(C[C@@H]3C2)C(=O)NC4=NC=CC(=C4)OC5=C(C=C(C=C5)NC(=O)C6=CC=CN(C6=O)C7=CC=C(C=C7)F)F

DOS

IR

Vibrations