Geometry & MOs

Info

ID:	288152
PubChem CID:	104312036
Reduced:	NOBr2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	420.90152
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	3.31
IP(EA), eV:	-10.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1-(3,5-dibromopyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCC(C1)C(=O)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations