Geometry & MOs

Info

ID:	144251
PubChem CID:	53338297
Reduced:	ClSN3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	336.23274
ΔH_f, kcal/mol:	68.0
Dipole, Da:	2.1
IP(EA), eV:	-7.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-(5-hydroxy-5,5-diphenylpent-3-ynyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=CC=C3Cl

DOS

IR

Vibrations