Geometry & MOs

Info

ID:	391769
PubChem CID:	135009364
Reduced:	BrN3O4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	292.14633
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	3.97
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diethyl-4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde

Drug info:

PubChemData

Smile

CCO/C(=C(/C1C2=C(C=CN1C(=O)OCC)C(=CC=C2)Br)\[N+]#N)/[O-]

DOS

IR

Vibrations