Geometry & MOs

Info

ID:	39471
PubChem CID:	8140913
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-85.4
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)CC2=CC=C(O2)C)O

DOS

IR

Vibrations