Geometry & MOs

Info

ID:	323067
PubChem CID:	126672047
Reduced:	FO2N7H22C25 (1)
Stoich.:	AB2C7D22E25 (1)
Weight, g/mol:	416.12123
ΔH_f, kcal/mol:	15.74
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-iodo-4-(2-methylheptan-2-yl)phenoxy]oxane

Drug info:

PubChemData

Smile

CN1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCC6(C5)CCNC6=O

DOS

IR

Vibrations