Geometry & MOs

Info

ID:	126868
PubChem CID:	50982756
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	15.75
Dipole, Da:	3.55
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminocyclohexyl)-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=NON=C1OCCN2C=NC(=C2C3=CC=C(O3)CO)C4=CC=CC=C4

DOS

IR

Vibrations