Geometry & MOs

Info

ID:	199297
PubChem CID:	79227001
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	32.65
Dipole, Da:	2.5
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CN3C=C(C(=N3)N)Br

DOS

IR

Vibrations