Geometry & MOs

Info

ID:	385235
PubChem CID:	134978591
Reduced:	OSiC25H28 (1)
Stoich.:	ABC25D28 (1)
Weight, g/mol:	172.125201
ΔH_f, kcal/mol:	3.18
Dipole, Da:	4.28
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-ynyl-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](/C=C\1/[C@H]2CCCC2=CC1=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations