Geometry & MOs

Info

ID:	159701
PubChem CID:	57288643
Reduced:	NSO3C15H28 (2)
Stoich.:	ABC3D15E28 (2)
Weight, g/mol:	348.220164
ΔH_f, kcal/mol:	-305.3
Dipole, Da:	7.69
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,3-dimethyl-3a,4-dihydro-2H-[1,2]oxazolo[2,3-a]indol-2-yl)ethenyl]-N,N,3-trimethylaniline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(C)(OC1=NC=CC=N1)SCCOCCCS(=O)(=O)O

DOS

IR

Vibrations