Geometry & MOs

Info

ID:	27983
PubChem CID:	824655
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-109.67
Dipole, Da:	5.76
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC=C(C1=O)C

DOS

IR

Vibrations