Geometry & MOs

Info

ID:	165609
PubChem CID:	74575315
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	396.192331
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	7.57
IP(EA), eV:	-9.29(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(CCCC(=O)[O-])[NH3+]

DOS

IR

Vibrations