Geometry & MOs

Info

ID:	397286
PubChem CID:	135029998
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	13.24
Dipole, Da:	3.59
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-diazonio-1-[(2-methylpropan-2-yl)oxy]-1,6-dioxodeca-2,9-dien-3-olate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC2=CC=NC3=CC=CC=C32)C

DOS

IR

Vibrations