Geometry & MOs

Info

ID:

379499

PubChem CID:

134436871

Reduced:

BrNH12C22 (1)

Stoich.:

ABC12D22 (1)

Weight, g/mol:

511.233188

ΔHf, kcal/mol:

126.88

Dipole, Da:

1.78

IP(EA), eV:

 -8.46(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2S)-2-hydroxypropoxy]-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4N2C5=C(C4=CC=C3)C6=C(C=C5)C(=CC=C6)Br

DOS

IR

Vibrations