Geometry & MOs

Info

ID:	373212
PubChem CID:	131311661
Reduced:	BrClOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	1.63
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-formyl-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OC(F)F)CBr

DOS

IR

Vibrations