Geometry & MOs

Info

ID:	370612
PubChem CID:	127339762
Reduced:	OSN7C16H19 (1)
Stoich.:	ABC7D16E19 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	79.29
Dipole, Da:	4.49
IP(EA), eV:	-9.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations