Geometry & MOs

Info

ID:	361851
PubChem CID:	127304822
Reduced:	OSN7C19H25 (1)
Stoich.:	ABC7D19E25 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	50.39
Dipole, Da:	7.19
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCN(CC3)CC4=CN=C(S4)C

DOS

IR

Vibrations