Geometry & MOs

Info

ID:

305670

PubChem CID:

124964694

Reduced:

FON6C24H27 (1)

Stoich.:

ABC6D24E27 (1)

Weight, g/mol:

434.223038

ΔHf, kcal/mol:

-10.12

Dipole, Da:

3.87

IP(EA), eV:

 -8.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCN(C2)C(=O)C3=NNC4=C3CCCCC4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations