Geometry & MOs

Info

ID:	288307
PubChem CID:	104314881
Reduced:	Br2N2F3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	416.00342
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	4.18
IP(EA), eV:	-9.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-N-ethyl-2-(5-ethyl-2-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C(=C(C=C1)F)F)F)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations