Geometry & MOs

Info

ID:	39667
PubChem CID:	8141805
Reduced:	N3O4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	6.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754664
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C=CC(=C3)OC

DOS

IR

Vibrations