Geometry & MOs

Info

ID:	175571
PubChem CID:	75923259
Reduced:	OS2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	402.185138
ΔH_f, kcal/mol:	26.48
Dipole, Da:	15.89
IP(EA), eV:	-6.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NCC1CCC[NH+](C1)CC2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations