Geometry & MOs

Info

ID:	7218
PubChem CID:	71609
Reduced:	NSO7C11H19 (1)
Stoich.:	ABC7D11E19 (1)
Weight, g/mol:	309.088223
ΔH_f, kcal/mol:	-273.04
Dipole, Da:	4.74
IP(EA), eV:	-9.04(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sulfuric acid;2-(3,4,5-trimethoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCN.OS(=O)(=O)O

DOS

IR

Vibrations