Geometry & MOs

Info

ID:

434352

PubChem CID:

135174750

Reduced:

N6O6H36C43 (1)

Stoich.:

A6B6C36D43 (1)

Weight, g/mol:

437.229012

ΔHf, kcal/mol:

-42.78

Dipole, Da:

7.07

IP(EA), eV:

 -9.14(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(2-methylpropoxy)-5-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1C2C(=O)C3=C(C2=O)C=C(C=C3)N4CC(C4)N5CC(C5)OC6=CC=C(C=C6)N7C=C(C(=N7)C8=CC=NC=C8)C9=CC1=C(C=C9)C(=O)CC1

DOS

IR

Vibrations