Geometry & MOs

Info

ID:	370754
PubChem CID:	127340119
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	3.67
Dipole, Da:	3.33
IP(EA), eV:	-8.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCC(CC2)CN3C=CC=N3

DOS

IR

Vibrations