Geometry & MOs

Info

ID:	328837
PubChem CID:	126728341
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	584.224655
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	4.38
IP(EA), eV:	-9.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,6-bis(dimethylamino)-3-methylxanthen-9-yl]-5-[2-[(2,2,2-trifluoroacetyl)amino]ethylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)C(=O)O)/C1=CC(=NC(=C1)C)C

DOS

IR

Vibrations