Geometry & MOs

Info

ID:	226890
PubChem CID:	87558830
Reduced:	SN2O3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796969
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethoxyphenyl)-1-[4-[2-(dimethylamino)ethylamino]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC(CS(=O)(=O)O)[N+]1=CNC=C1

DOS

IR

Vibrations