Geometry & MOs

Info

ID:	145557
PubChem CID:	53544782
Reduced:	BrFON3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	347.064839
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	3.93
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNCC2=C(C=CC(=C2)F)Br)OC)C

DOS

IR

Vibrations