Geometry & MOs

Info

ID:	133238
PubChem CID:	51496711
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	-88.57
Dipole, Da:	2.55
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C[C@H](CN(CC1=CC(=CC=C1)C2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations