Geometry & MOs

Info

ID:	221049
PubChem CID:	85256621
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	266.047474
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	4.44
IP(EA), eV:	-9.71(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[ethoxy(3-methoxyprop-1-ynyl)phosphoryl]oxybut-2-ene

Drug info:

PubChemData

Smile

CCC=CCC1C(CCC1=O)CCCCC(=O)OC

DOS

IR

Vibrations