Geometry & MOs

Info

ID:	407421
PubChem CID:	135080053
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	51.77
Dipole, Da:	6.07
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[3-[(Z)-but-1-enoxy]phenyl]ethanimine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/N=N/NC2=C(C=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations