Geometry & MOs

Info

ID:	349735
PubChem CID:	127275897
Reduced:	O2S2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	6.05
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzo[e]indol-2-yl-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)C2=CN=C3N(C2=O)CCS3

DOS

IR

Vibrations