Geometry & MOs

Info

ID:	361680
PubChem CID:	127304395
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	18.93
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations