Geometry & MOs

Info

ID:	371860
PubChem CID:	131276025
Reduced:	FOSN2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	216.9197
ΔH_f, kcal/mol:	-34.49
Dipole, Da:	2.5
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(hydroxymethyl)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=NC(=CS2)CN)O)F

DOS

IR

Vibrations