Geometry & MOs

Info

ID:	273338
PubChem CID:	103770928
Reduced:	FN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	4.49
IP(EA), eV:	-10.33(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3,4-dihydro-2H-chromene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F)O

DOS

IR

Vibrations