Geometry & MOs

Info

ID:	221508
PubChem CID:	85273797
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	312.02224
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	2.94
IP(EA), eV:	-9.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(iodomethyl)-8-(methoxymethoxy)-2,3,4,7-tetrahydrooxocine

Drug info:

PubChemData

Smile

CC(C)C(C(C1=NC(C(O1)C2=CC=CC=C2)COC)Cl)O

DOS

IR

Vibrations