Geometry & MOs

Info

ID:	142533
PubChem CID:	53051540
Reduced:	BrFON4H10C14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	20.49
Dipole, Da:	5.65
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)N=N1

DOS

IR

Vibrations