Geometry & MOs

Info

ID:	363288
PubChem CID:	127310546
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	363.263425
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	6.3
IP(EA), eV:	-8.93(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(4-methylcyclohexyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations