Geometry & MOs

Info

ID:	253450
PubChem CID:	103118556
Reduced:	BrO2N5C12H14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	281.062283
ΔH_f, kcal/mol:	6.21
Dipole, Da:	2.45
IP(EA), eV:	-9.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylindazol-3-yl)-3-oxo-2-thiophen-2-ylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=NC=C(C=C2)Br)CCN

DOS

IR

Vibrations