Geometry & MOs

Info

ID:	303830
PubChem CID:	124490228
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	339.85959
ΔH_f, kcal/mol:	-172.86
Dipole, Da:	4.27
IP(EA), eV:	-9.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-iodo-4-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](C1=CC=CC=C1CN)C(=O)O

DOS

IR

Vibrations