Geometry & MOs

Info

ID:	351641
PubChem CID:	127280562
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN1C=C(C(=O)NC1=O)C(=O)N2CCCC2C3=CN(N=C3)C

DOS

IR

Vibrations