Geometry & MOs

Info

ID:	222007
PubChem CID:	85293313
Reduced:	O3N5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	452.06959
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	5.24
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(iodomethyl)-6-methoxy-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]oxane

Drug info:

PubChemData

Smile

C1C(C(OC1N2C(=NC3=C(N=CN=C32)N)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CO)O

DOS

IR

Vibrations