Geometry & MOs

Info

ID:	387774
PubChem CID:	134986860
Reduced:	BrNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	178.084993
ΔH_f, kcal/mol:	16.75
Dipole, Da:	1.68
IP(EA), eV:	-10.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-1-propan-2-ylsulfanylbutane

Drug info:

PubChemData

Smile

COC1(C=C2CN=C2C=C1Br)OC

DOS

IR

Vibrations