Geometry & MOs

Info

ID:	6960
PubChem CID:	70741
Reduced:	BrOH5C7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	183.95238
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	2.3
IP(EA), eV:	-10.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)Br

DOS

IR

Vibrations