Geometry & MOs

Info

ID:	338397
PubChem CID:	127259089
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	240.099774
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	3.65
IP(EA), eV:	-8.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methoxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=NNC(=S)C2=CC=CC=C21

DOS

IR

Vibrations