Geometry & MOs

Info

ID:	364764
PubChem CID:	127316095
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	3.87
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations