Geometry & MOs

Info

ID:	407610
PubChem CID:	135080359
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	307.99828
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.22
IP(EA), eV:	-9.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoprop-2-enyl)-1-methyl-5-phenylsulfanylpyrazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CNC(=O)C)Cl

DOS

IR

Vibrations