Geometry & MOs

Info

ID:	405241
PubChem CID:	135073180
Reduced:	N2O2C14H17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.095278
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-2-diazonio-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(\C=C\C1=CC=CC=C1)/[N+]#N)/O

DOS

IR

Vibrations