Geometry & MOs

Info

ID:	312196
PubChem CID:	126603567
Reduced:	NOSC5H11 (1)
Stoich.:	ABCD5E11 (1)
Weight, g/mol:	252.01498
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	4.26
IP(EA), eV:	-8.93(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-1-(2-methylbut-3-yn-2-yloxy)benzene

Drug info:

PubChemData

Smile

CC(C)(C1C(S1)N)O

DOS

IR

Vibrations