Geometry & MOs

Info

ID:	48266
PubChem CID:	10538476
Reduced:	ClNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	248.117746
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	3.12
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-diethoxyphosphoryl-1-ethoxypenta-1,4-diene

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CCC3=C(N2C=CC1=O)C=CC(=C3)Cl

DOS

IR

Vibrations