Geometry & MOs

Info

ID:	405979
PubChem CID:	135076182
Reduced:	BrNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	548.20028
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	4.41
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodopent-3-enyl]cyclohexa-2,5-dien-1-yl]methoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CCCN1C2=CC=CC(=C2Br)C

DOS

IR

Vibrations