Geometry & MOs

Info

ID:

137836

PubChem CID:

52270421

Reduced:

F2N2O2C23H25 (1)

Stoich.:

A2B2C2D23E25 (1)

Weight, g/mol:

382.146347

ΔHf, kcal/mol:

-126.2

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.263194

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1)C[NH2+]CC2=C(C=CC3=CC=CC=C32)OC(F)F

DOS

IR

Vibrations