Geometry & MOs

Info

ID:	332855
PubChem CID:	127251279
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	9.55
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C(C)(C)O

DOS

IR

Vibrations