Geometry & MOs

Info

ID:	142070
PubChem CID:	52975828
Reduced:	FON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	0.78
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-2-ylidene)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations