Geometry & MOs

Info

ID:	405967
PubChem CID:	135076127
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	330.201507
ΔH_f, kcal/mol:	-83.33
Dipole, Da:	3.16
IP(EA), eV:	-9.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E)-6-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienyl]cyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

COC(=O)N(C1CCCCCC1)C2=CC=CC=C2Br

DOS

IR

Vibrations