Geometry & MOs

Info

ID:	360892
PubChem CID:	127301589
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	2.49
Dipole, Da:	7.64
IP(EA), eV:	-8.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations