Geometry & MOs

Info

ID:	41144
PubChem CID:	8145355
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	423.228382
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	6.18
IP(EA), eV:	-8.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN(C)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations