Geometry & MOs

Info

ID:	390041
PubChem CID:	134996770
Reduced:	CrSiO6C29H36 (1)
Stoich.:	ABC6D29E36 (1)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-230.35
Dipole, Da:	2.4
IP(EA), eV:	-7.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,2-dimethyl-N-[(E)-4-phenylbut-1-enyl]sulfanylpropan-1-imine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C3=C(C=C2)C=C(C=C3)OC)C(=C1CC)O[Si](C)(C)C(C)(C)C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations