Geometry & MOs

Info

ID:	358814
PubChem CID:	127296682
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	8.47
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC(=O)N2CCC(=C)CC2)C)C

DOS

IR

Vibrations