Geometry & MOs

Info

ID:	228448
PubChem CID:	87564540
Reduced:	N3O5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	326.171596
ΔH_f, kcal/mol:	-175.03
Dipole, Da:	4.2
IP(EA), eV:	-10.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-5-cyclopropyl-1-ethoxy-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopent-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CC(C1CC1)NC(=O)OC(C)(C)C)\[O-])/[N+]#N

DOS

IR

Vibrations