Geometry & MOs

Info

ID:	402747
PubChem CID:	135057120
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	54.39
Dipole, Da:	4.56
IP(EA), eV:	-10.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-iodo-3-phenylmethoxypropanal

Drug info:

PubChemData

Smile

CCC(C)(C#N)C1=NC=CN=C1Cl

DOS

IR

Vibrations