Geometry & MOs

Info

ID:	245511
PubChem CID:	99453643
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	35.64
Dipole, Da:	8.41
IP(EA), eV:	-9.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-oxo-3-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations