Geometry & MOs

Info

ID:	145262
PubChem CID:	53489674
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	463.152351
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	5.4
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)C(=O)N

DOS

IR

Vibrations