Geometry & MOs

Info

ID:	313081
PubChem CID:	126611739
Reduced:	INSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	286.05684
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	1.85
IP(EA), eV:	-9.02(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-ethylphenyl)-2-propoxyethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2C(=C1)SI)C(=O)O

DOS

IR

Vibrations