Geometry & MOs

Info

ID:	361632
PubChem CID:	127303926
Reduced:	SO2N6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	42.87
Dipole, Da:	4.49
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CSN=N3

DOS

IR

Vibrations