Geometry & MOs

Info

ID:	53386
PubChem CID:	14714358
Reduced:	OBr2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	226.138906
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	6.23
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-4-ethyl-5-trimethylsilylhexa-2,5-dienoate

Drug info:

PubChemData

Smile

CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=C(C(=CC(=C3)Br)Br)N

DOS

IR

Vibrations