Geometry & MOs

Info

ID:	295817
PubChem CID:	117544912
Reduced:	NSC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	15.25
Dipole, Da:	3.28
IP(EA), eV:	-8.45(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-propan-2-yloxyphenyl)propane-2-thiol

Drug info:

PubChemData

Smile

CC(C)(CC1=CNC2=CC=CC=C21)S

DOS

IR

Vibrations