Geometry & MOs

Info

ID:

222834

PubChem CID:

85332675

Reduced:

F3O3N5H28C29 (1)

Stoich.:

A3B3C5D28E29 (1)

Weight, g/mol:

555.284555

ΔHf, kcal/mol:

-184.19

Dipole, Da:

6.26

IP(EA), eV:

 -8.74(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenoxy-N-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCCNC1=CC2=CC(=NC(=C2C=C1)C3=CC=C(C=C3)F)N(C4=C(C=CC=C4F)F)C(=O)N)N

DOS

IR

Vibrations