Geometry & MOs

Info

ID:	208374
PubChem CID:	80526810
Reduced:	BrNOSC16H20 (1)
Stoich.:	ABCDE16F20 (1)
Weight, g/mol:	207.108171
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	3.65
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNCCOC1=CC=C(C=C1)Br)C2=CC=CS2

DOS

IR

Vibrations