Geometry & MOs

Info

ID:	84780
PubChem CID:	49869823
Reduced:	INF2O2C32H46 (1)
Stoich.:	ABC2D2E32F46 (1)
Weight, g/mol:	353.089937
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	29.13
IP(EA), eV:	-5.61(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-7-(3-methylphenyl)-4-oxochromene-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C=CC2=C1CC[N+](=C2CCCCCCC)CC3=C(C=CC=C3F)F)OC.[I-]

DOS

IR

Vibrations