Geometry & MOs

Info

ID:	373136
PubChem CID:	131310553
Reduced:	BrFSN2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	1.05
Dipole, Da:	2.89
IP(EA), eV:	-8.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-formyl-5-hydroxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=C(C=CC(=C2)F)Br)N

DOS

IR

Vibrations