Geometry & MOs

Info

ID:	349665
PubChem CID:	127275817
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	3.69
IP(EA), eV:	-8.57(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCC2)NC(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations