Geometry & MOs

Info

ID:	404886
PubChem CID:	135071622
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	312.108562
ΔH_f, kcal/mol:	-197.84
Dipole, Da:	2.9
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C\1/C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations