Geometry & MOs

Info

ID:	407143
PubChem CID:	135079424
Reduced:	O2C23H28 (1)
Stoich.:	A2B23C28 (1)
Weight, g/mol:	360.248457
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	3.03
IP(EA), eV:	-9.21(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S)-2,4-dimethyl-1-phenylmethoxyhept-5-yn-3-yl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CC#C[C@@H](C)[C@@H]([C@H](C)COCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations