Geometry & MOs

Info

ID:	3434
PubChem CID:	9653
Reduced:	NOSC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	276.142211
ΔH_f, kcal/mol:	27.85
Dipole, Da:	1.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750705
Charge, e:	1

Chem-info

IUPAC name:

(3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CS2)O

DOS

IR

Vibrations