Geometry & MOs

Info

ID:	243735
PubChem CID:	99234433
Reduced:	O2N3C25H39 (1)
Stoich.:	A2B3C25D39 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-109.97
Dipole, Da:	7.58
IP(EA), eV:	-8.79(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CCCCNC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C

DOS

IR

Vibrations