Geometry & MOs

Info

ID:	26790
PubChem CID:	798379
Reduced:	FN2O5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-114.89
Dipole, Da:	4.57
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

DOS

IR

Vibrations