Geometry & MOs

Info

ID:	275472
PubChem CID:	103816322
Reduced:	BrClNOSC13H13 (1)
Stoich.:	ABCDEF13G13 (1)
Weight, g/mol:	294.122441
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	0.57
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butylthiophen-2-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)CNCC(C2=CSC=C2)O

DOS

IR

Vibrations