Geometry & MOs

Info

ID:	125277
PubChem CID:	50917991
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	244.128342
ΔH_f, kcal/mol:	35.14
Dipole, Da:	4.86
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-triethylsilylprop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)[C@@H](C)N)O

DOS

IR

Vibrations