Geometry & MOs

Info

ID:	136221
PubChem CID:	52001074
Reduced:	SO4N6C16H24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	3.54
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-4-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C2=NN=C(O2)CCC(=O)N3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations