Geometry & MOs

Info

ID:	147821
PubChem CID:	53787479
Reduced:	PN2O3C10H25 (1)
Stoich.:	AB2C3D10E25 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-223.85
Dipole, Da:	2.76
IP(EA), eV:	-8.98(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hex-3-enoxy-3-methoxy-7-[(2-methylpropan-2-yl)oxy]chromen-2-one

Drug info:

PubChemData

Smile

CCCNCCCNP(=O)(OCC)OCC

DOS

IR

Vibrations