Geometry & MOs

Info

ID:	126669
PubChem CID:	50972970
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	4.05
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-methyl-4-(2-phenylethyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)N2CCC3(CC2)CC(=O)NC3

DOS

IR

Vibrations