Geometry & MOs

Info

ID:	259692
PubChem CID:	103172041
Reduced:	ClNSO4C8H10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-129.18
Dipole, Da:	5.31
IP(EA), eV:	-9.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[(3,4-dimethoxypyridin-2-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CS(=O)(=O)Cl)OC

DOS

IR

Vibrations