Geometry & MOs

Info

ID:	53545
PubChem CID:	14716575
Reduced:	SeN2O5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	391.064507
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	8.32
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]thiochromen-1-yl] perchlorate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[Se]C3(N2C)C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])COC(=O)C(=C)C

DOS

IR

Vibrations