Geometry & MOs

Info

ID:	288203
PubChem CID:	104313501
Reduced:	BrClSN2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	280.03236
ΔH_f, kcal/mol:	64.44
Dipole, Da:	2.58
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(C2=CC=C(S2)Cl)N)Br

DOS

IR

Vibrations