Geometry & MOs

Info

ID:	27984
PubChem CID:	824656
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	3.15
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations