Geometry & MOs

Info

ID:	28361
PubChem CID:	827202
Reduced:	FSN2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	6.74
Dipole, Da:	2.94
IP(EA), eV:	-8.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H]2CC3=C(C=C(C=C3)F)SC4=CC=CC=C24

DOS

IR

Vibrations