Geometry & MOs

Info

ID:	66162
PubChem CID:	46500346
Reduced:	ClOSN2H15C24 (1)
Stoich.:	ABCD2E15F24 (1)
Weight, g/mol:	386.175619
ΔH_f, kcal/mol:	97.68
Dipole, Da:	4.46
IP(EA), eV:	-8.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-(6-ethyl-2-phenylchromen-4-ylidene)azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C/C(=N\C3=NC(=CS3)C4=CC=CC=C4)/C5=C(O2)C=CC(=C5)Cl

DOS

IR

Vibrations