Geometry & MOs

Info

ID:	332859
PubChem CID:	127251283
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	26.47
Dipole, Da:	7.97
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCCC5=CC=CC=C5

DOS

IR

Vibrations