Geometry & MOs

Info

ID:	369783
PubChem CID:	127335271
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	4.32
IP(EA), eV:	-8.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCCN3C(=O)CC(C)(C)C

DOS

IR

Vibrations