Geometry & MOs

Info

ID:	273290
PubChem CID:	103770835
Reduced:	NF2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-185.6
Dipole, Da:	1.58
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=C(C=C1)F)F)O

DOS

IR

Vibrations