Geometry & MOs

Info

ID:	222204
PubChem CID:	85295200
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	220.086446
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	3.95
IP(EA), eV:	-7.98(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-diethoxyphosphoryl-2-methylbut-2-enal

Drug info:

PubChemData

Smile

CCN(C1CCCCC1O)C2=CC=CC=C2

DOS

IR

Vibrations