Geometry & MOs

Info

ID:	342722
PubChem CID:	127265882
Reduced:	BrN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-220.39
Dipole, Da:	3.16
IP(EA), eV:	-10.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCNC(=O)COC1=C(N=C(C=C1)C(F)(F)F)Br

DOS

IR

Vibrations