Geometry & MOs

Info

ID:	396183
PubChem CID:	135027650
Reduced:	BrN3O4H30C31 (1)
Stoich.:	AB3C4D30E31 (1)
Weight, g/mol:	352.04628
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	4.81
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]naphthalene

Drug info:

PubChemData

Smile

C1CCN(CC1)N=NC2=C(C=CC(=C2/C=C/C(=O)OCC3=CC=CC=C3)Br)/C=C/C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations