Geometry & MOs

Info

ID:	292600
PubChem CID:	117355950
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	241.095892
ΔH_f, kcal/mol:	12.47
Dipole, Da:	4.92
IP(EA), eV:	-9.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(methylsulfanyl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations