Geometry & MOs

Info

ID:	409932
PubChem CID:	135082719
Reduced:	WN3C36H54 (1)
Stoich.:	AB3C36D54 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	105.77
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.785189
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-ethoxynon-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.[W]

DOS

IR

Vibrations