Geometry & MOs

Info

ID:	204548
PubChem CID:	79981294
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	261.01868
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	5.2
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(CC(C)C)C(C)C)C#CCO

DOS

IR

Vibrations