Geometry & MOs

Info

ID:	386443
PubChem CID:	134981761
Reduced:	PSiO3C39H52 (1)
Stoich.:	ABC3D39E52 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.082549
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-methylhept-4-en-2-ol

Drug info:

PubChemData

Smile

C/C/1=C\CC[C@H]([C@H](O[C@H](C1)/C=C(\C)/C=C)CO[Si](C)(C)C(C)(C)C)O[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations