Geometry & MOs

Info

ID:	125805
PubChem CID:	50939352
Reduced:	ClFO4N5C12H13 (1)
Stoich.:	ABC4D5E12F13 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-146.64
Dipole, Da:	3.06
IP(EA), eV:	-9.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylchromene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N=C(N)N=C(N)N)Cl)F.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations