Geometry & MOs

Info

ID:	408434
PubChem CID:	135081200
Reduced:	NSeO2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	5.57
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(4-chlorophenyl)-3-(hydroxymethyl)pent-4-enal

Drug info:

PubChemData

Smile

CCOC(=O)CN=C=[Se]

DOS

IR

Vibrations