Geometry & MOs

Info

ID:	162268
PubChem CID:	57394120
Reduced:	FN2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	424.143282
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	3.29
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[4-[2-[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1C(OC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)F

DOS

IR

Vibrations