Geometry & MOs

Info

ID:	155537
PubChem CID:	56365873
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	495.263425
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	4.63
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-1-ethyl-6-phenyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations