Geometry & MOs

Info

ID:

425891

PubChem CID:

135129473

Reduced:

NH16C22 (2)

Stoich.:

AB16C22 (2)

Weight, g/mol:

452.141532

ΔHf, kcal/mol:

314.51

Dipole, Da:

1.1

IP(EA), eV:

 -7.66(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[1-[[2-chloro-4-(dimethylamino)-6-methylphenyl]methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoate

Drug info:

PubChemData

Smile

C1C=C2C(=CC1N3C4C=CC=CC4C5=C3C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C=CC1=CC=CC=C21

DOS

IR

Vibrations