Geometry & MOs

Info

ID:	288191
PubChem CID:	104313363
Reduced:	BrSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	266.01671
ΔH_f, kcal/mol:	55.55
Dipole, Da:	1.83
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(CCC2=CC=CS2)N)Br

DOS

IR

Vibrations