Geometry & MOs

Info

ID:

297382

PubChem CID:

117616511

Reduced:

N3O4C26H27 (1)

Stoich.:

A3B4C26D27 (1)

Weight, g/mol:

631.259324

ΔHf, kcal/mol:

-73.83

Dipole, Da:

6.88

IP(EA), eV:

 -8.49(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl 2-[1-[8-[(2-methylpropan-2-yl)oxycarbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

COC1CN(C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations