Geometry & MOs

Info

ID:	174967
PubChem CID:	75839501
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	73.23
Dipole, Da:	6.82
IP(EA), eV:	-7.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(dipropylazaniumyl)methyl]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C[NH+](CC2=CSC=C2)CC3=NC=C[NH2+]3

DOS

IR

Vibrations