Geometry & MOs

Info

ID:	126586
PubChem CID:	50968972
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	2.39
IP(EA), eV:	-9.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethyl)-3-pyridin-3-yl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2C[C@@H]3CN(C[C@@]3(C2)C(=O)O)C

DOS

IR

Vibrations