Geometry & MOs

Info

ID:	304502
PubChem CID:	124756085
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	51.08
Dipole, Da:	6.63
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]phenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CC=CC=N2)CCC(=O)NC3=NN=C(S3)C4CC4

DOS

IR

Vibrations