Geometry & MOs

Info

ID:	68626
PubChem CID:	46508791
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	443.0593
ΔH_f, kcal/mol:	-132.54
Dipole, Da:	2.6
IP(EA), eV:	-8.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-bromophenoxy)propanoyl]-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NC(=O)C(C)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations