Geometry & MOs

Info

ID:	365650
PubChem CID:	127318371
Reduced:	ClO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	7.73
Dipole, Da:	3.17
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C3=NC(=NO3)C4CCOCC4)Cl

DOS

IR

Vibrations