Geometry & MOs

Info

ID:	160389
PubChem CID:	57309737
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	341.259289
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	6.19
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[3-(3-aminopropyl)-2,5-dimethyl-1-propylpyrrol-1-ium-1-yl]-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)CC2C(=O)NC(=O)S2)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations