Geometry & MOs

Info

ID:	72550
PubChem CID:	48416294
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	6.05
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])N3CCNC3=O

DOS

IR

Vibrations