Geometry & MOs

Info

ID:	395387
PubChem CID:	135025346
Reduced:	N2O2Si2C41H71 (1)
Stoich.:	A2B2C2D41E71 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-211.82
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755812
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-cyclohexylprop-2-enyl]-1-phenylbutane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(C)(C)CN1C=[N+]([C@@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3)CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations