Geometry & MOs

Info

ID:	384837
PubChem CID:	134977778
Reduced:	OSiC19H32 (1)
Stoich.:	ABC19D32 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	2.13
IP(EA), eV:	-8.67(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-4-methyl-3-propan-2-ylhex-3-en-1-ynyl]aniline

Drug info:

PubChemData

Smile

CC1=CC[C@H](C[C@@H]1C#CCO[Si](C)(C)C(C)(C)C)C(=C)C

DOS

IR

Vibrations