Geometry & MOs

Info

ID:	144454
PubChem CID:	53370453
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	7.71
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations