Geometry & MOs

Info

ID:	398634
PubChem CID:	135034465
Reduced:	SiO2C23H36 (1)
Stoich.:	AB2C23D36 (1)
Weight, g/mol:	288.112585
ΔH_f, kcal/mol:	-117.26
Dipole, Da:	3.15
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1-phenylbut-3-yn-2-yl)-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si]1(CC2C3(O2)CCCC[C@@H]3[C@H](O1)C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations