Geometry & MOs

Info

ID:	165075
PubChem CID:	74496096
Reduced:	SN4C22H36 (1)
Stoich.:	AB4C22D36 (1)
Weight, g/mol:	439.307302
ΔH_f, kcal/mol:	39.06
Dipole, Da:	8.55
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC4CCC=CC4

DOS

IR

Vibrations