Geometry & MOs

Info

ID:	363373
PubChem CID:	127310910
Reduced:	O2S2N5C15H15 (1)
Stoich.:	A2B2C5D15E15 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	35.99
Dipole, Da:	3.31
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCOC(C3)C4=NC=CS4

DOS

IR

Vibrations