Geometry & MOs

Info

ID:	71006
PubChem CID:	48414171
Reduced:	Cl2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	355.03317
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	4.24
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C)OC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations