Geometry & MOs

Info

ID:	380553
PubChem CID:	134971035
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	373.212732
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	2.21
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E,3R)-3-(cyclohexen-1-ylmethoxy)-2-hydroxy-6-[(4-methoxyphenyl)methoxy]hex-1-ene-1-diazonium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCC[C@H](/C(=C\[N+]#N)/[O-])OCC2=CCCCC2

DOS

IR

Vibrations