Geometry & MOs

Info

ID:	133410
PubChem CID:	51522967
Reduced:	N2O6H23C24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	191.082053
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	2.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865097
Charge, e:	1

Chem-info

IUPAC name:

[4-(methylamino)-2-oxochromen-3-yl]azanium

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=C(C=C2)O)OC)CCC3=CNC4=C3C=C(C=C4)OC)[O-]

DOS

IR

Vibrations