Geometry & MOs

Info

ID:

296931

PubChem CID:

117601697

Reduced:

ClFN4O5H34C35 (1)

Stoich.:

ABC4D5E34F35 (1)

Weight, g/mol:

697.317666

ΔHf, kcal/mol:

-152.93

Dipole, Da:

11.1

IP(EA), eV:

 -8.93(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-fluoro-4-[[3-(2-methylpyridin-4-yl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1CCN(CC1)C2C=CC=C3C2CCN(C3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)C5=CN=CC(=C5)C6=C(C(=CC=C6)Cl)F

DOS

IR

Vibrations