Geometry & MOs

Info

ID:	163148
PubChem CID:	57646607
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	313.075036
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	11.73
IP(EA), eV:	-9.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(4-fluorophenyl)methyl]-4-oxochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)CC3=CC=C(C=C3)OC)C(=C(C1=O)C(=O)O)O

DOS

IR

Vibrations