Geometry & MOs

Info

ID:	228249
PubChem CID:	87563743
Reduced:	BrFON2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	5.32
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-5,6,8,9-tetrahydrobenzo[7]annulene-7-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C(C(=CC(=C2OCC3=CC=CC=C3)Br)F)C#N

DOS

IR

Vibrations