Geometry & MOs

Info

ID:	393180
PubChem CID:	135019633
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	684.03402
ΔH_f, kcal/mol:	78.74
Dipole, Da:	10.07
IP(EA), eV:	-6.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;(2R,4S,5R)-4-[(1E)-buta-1,3-dienyl]-2-phenyl-1,3-dioxan-5-ol;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate;zinc;bromide

Drug info:

PubChemData

Smile

[CH-]1C=CC(=C1)C[NH2+]CC2=CC=CC=C2

DOS

IR

Vibrations