Geometry & MOs

Info

ID:	360891
PubChem CID:	127301588
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-115.96
Dipole, Da:	4.41
IP(EA), eV:	-9.53(0.02)
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-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CCN3C(=O)CCC3=O

DOS

IR

Vibrations