Geometry & MOs

Info

ID:	419663
PubChem CID:	135108678
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	9.25
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-1,2,5-oxadiazole

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)OC

DOS

IR

Vibrations