Geometry & MOs

Info

ID:	71093
PubChem CID:	48414279
Reduced:	BrN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	304.133554
ΔH_f, kcal/mol:	-24.06
Dipole, Da:	4.03
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Br

DOS

IR

Vibrations