Geometry & MOs

Info

ID:	332800
PubChem CID:	127251224
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	84.65
Dipole, Da:	3.23
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(6-methylpyridin-2-yl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations