Geometry & MOs

Info

ID:	338602
PubChem CID:	127259613
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	192.060886
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	4.68
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-ethylsulfanylethenyl]benzaldehyde

Drug info:

PubChemData

Smile

C/C(=C(\C1=CC=C(C=C1)C=O)/C(=O)C)/N

DOS

IR

Vibrations