Geometry & MOs

Info

ID:

214692

PubChem CID:

85083420

Reduced:

N2O11H26C29 (1)

Stoich.:

A2B11C26D29 (1)

Weight, g/mol:

582.315716

ΔHf, kcal/mol:

-274.55

Dipole, Da:

13.0

IP(EA), eV:

 -8.94(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methylpyrazolidin-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations