Geometry & MOs

Info

ID:	361673
PubChem CID:	127304010
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	5.59
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)CC4C(=O)NC5=CC=CC=C5O4

DOS

IR

Vibrations