Geometry & MOs

Info

ID:	384223
PubChem CID:	134976567
Reduced:	PO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	438.18074
ΔH_f, kcal/mol:	-237.1
Dipole, Da:	2.91
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[[butyl(ethoxy)phosphoryl]oxymethyl]phenoxy]-1,2,3-trimethoxybenzene

Drug info:

PubChemData

Smile

CCCCP(=O)(OCC)OCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations