Geometry & MOs

Info

ID:	293287
PubChem CID:	117381958
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	3.77
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminobutan-2-yl)-4-tert-butyl-6-methoxyphenol

Drug info:

PubChemData

Smile

C1CSCCC1C2=CC=CC=C2C(C(=O)O)N

DOS

IR

Vibrations