Geometry & MOs

Info

ID:	338606
PubChem CID:	127259617
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	1.5
IP(EA), eV:	-9.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-oxopent-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

CCCC(=O)/C=C/C1=CC=C(C=C1)C=O

DOS

IR

Vibrations