Geometry & MOs

Info

ID:	288198
PubChem CID:	104313432
Reduced:	SBr2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	280.03236
ΔH_f, kcal/mol:	68.2
Dipole, Da:	2.99
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(2-ethylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(CC2=CC=C(S2)Br)N)Br

DOS

IR

Vibrations