Geometry & MOs

Info

ID:	222314
PubChem CID:	85296661
Reduced:	BrNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	352.08993
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	8.23
IP(EA), eV:	-9.2(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-iodo-3-methyloct-6-enoxy)oxane

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2)[N+](=O)[O-])O)Br)C

DOS

IR

Vibrations