Geometry & MOs

Info

ID:	342765
PubChem CID:	127265928
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	332.134777
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	4.33
IP(EA), eV:	-9.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-hydroxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CN(CCOC)C(=O)C1=C2C=CC=C(C2=NC=C1O)Br

DOS

IR

Vibrations