Geometry & MOs

Info

ID:	360896
PubChem CID:	127301593
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	3.26
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations