Geometry & MOs

Info

ID:	414188
PubChem CID:	135087144
Reduced:	NSC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	367.123985
ΔH_f, kcal/mol:	67.3
Dipole, Da:	1.94
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-nitrophenyl)-1-phenyl-3-trimethylsilylprop-2-ynyl] acetate

Drug info:

PubChemData

Smile

CCCCC(C#CC1=CC=CC(=N1)C)SC2=CC=CC=C2

DOS

IR

Vibrations