Geometry & MOs

Info

ID:	400821
PubChem CID:	135049169
Reduced:	BON2F4C11H14 (2)
Stoich.:	ABC2D4E11F14 (2)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-633.07
Dipole, Da:	24.26
IP(EA), eV:	-9.54(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5-[(3S,4R)-4-(3-diazonio-4-methoxyphenyl)-3,4-dimethylhexan-3-yl]-2-methoxybenzenediazonium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC[C@](C)(C1=CC(=C(C=C1)OC)[N+]#N)[C@@](C)(CC)C2=CC(=C(C=C2)OC)[N+]#N

DOS

IR

Vibrations