Geometry & MOs

Info

ID:

436061

PubChem CID:

135193649

Reduced:

IN5O8C46H46 (1)

Stoich.:

AB5C8D46E46 (1)

Weight, g/mol:

498.224261

ΔHf, kcal/mol:

-11.54

Dipole, Da:

11.76

IP(EA), eV:

 -8.31(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

Drug info:

PubChemData

Smile

CC(NCCOC1=CC=C(C=C1)C2=CN3C(C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)I

DOS

IR

Vibrations