Geometry & MOs

Info

ID:	297892
PubChem CID:	117636401
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	402.114648
ΔH_f, kcal/mol:	-59.96
Dipole, Da:	4.8
IP(EA), eV:	-9.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-chloro-2-fluorophenyl)benzoyl]piperazin-1-yl]-(oxetan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=NO1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations