Geometry & MOs

Info

ID:	288279
PubChem CID:	104314566
Reduced:	Br2N2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	435.9488
ΔH_f, kcal/mol:	51.64
Dipole, Da:	1.29
IP(EA), eV:	-8.42(-0.8)
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)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(C=C)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations