Geometry & MOs

Info

ID:	392246
PubChem CID:	135013847
Reduced:	PO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	342.219495
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	2.2
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6-methylidene-10-phenyldec-9-yn-5-yl) carbonate

Drug info:

PubChemData

Smile

CC[C@@](C1=CC=CC=C1)(C(=O)OCC=C)OP(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations