Geometry & MOs

Info

ID:	412778
PubChem CID:	135085705
Reduced:	BrFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	340.00726
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	4.96
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodopyrazol-1-yl)-(2,4,6-trimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC#CC(=O)N(C)CC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations