Geometry & MOs

Info

ID:	162814
PubChem CID:	57570989
Reduced:	NS2O3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-134.33
Dipole, Da:	3.3
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(bromomethoxy)-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(CNCCOC1=CC(=CC(=C1)CO)CO)SSC

DOS

IR

Vibrations