Geometry & MOs

Info

ID:	384237
PubChem CID:	134976599
Reduced:	SiO3C27H44 (1)
Stoich.:	AB3C27D44 (1)
Weight, g/mol:	247.1361
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	2.76
IP(EA), eV:	-8.68(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-3-phenylpent-3-en-1-ynyl)aniline

Drug info:

PubChemData

Smile

CCCCC/C=C\C=C\[C@@H](CC#CCC#CCCCC(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations