Geometry & MOs

Info

ID:	173063
PubChem CID:	75591720
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	9.4
IP(EA), eV:	-9.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-quinolin-4-yl-1,2,3,3a,4,5-hexahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1CC(NC(=O)C1C(=O)NC(CN2C=CN=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations