Geometry & MOs

Info

ID:	397064
PubChem CID:	135029666
Reduced:	SiN2O5C16H29 (1)
Stoich.:	AB2C5D16E29 (1)
Weight, g/mol:	303.9919
ΔH_f, kcal/mol:	-207.04
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767226
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-5-trimethylsilylpenta-2,4-diyn-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@H](C/C(=C(/C(=O)OC)\[N+]#N)/O)OCC=C

DOS

IR

Vibrations