Geometry & MOs

Info

ID:	373308
PubChem CID:	131313053
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	3.63
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-iodo-2-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC(C)C(C#N)C1=CC(=C(C=C1)O)Br

DOS

IR

Vibrations