Geometry & MOs

Info

ID:	65077
PubChem CID:	29204434
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	4.88
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CS(=O)(=O)C

DOS

IR

Vibrations