Geometry & MOs

Info

ID:	219806
PubChem CID:	85164915
Reduced:	N6O9C28H36 (1)
Stoich.:	A6B9C28D36 (1)
Weight, g/mol:	600.255834
ΔH_f, kcal/mol:	-195.51
Dipole, Da:	4.01
IP(EA), eV:	-9.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

Drug info:

PubChemData

Smile

COC1C(OC(C(C1O)N=[N+]=[N-])OC2C(OC(C(C2O)N=[N+]=[N-])OC)COCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations