Geometry & MOs

Info

ID:	65299
PubChem CID:	29211955
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	381.181432
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	3.27
IP(EA), eV:	-9.2(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H](C1(C)C)C/C2=N\NC(=O)CNS(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations