Geometry & MOs

Info

ID:	363021
PubChem CID:	127310046
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	4.49
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations