Geometry & MOs

Info

ID:	228569
PubChem CID:	87565313
Reduced:	NOC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	4.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750819
Charge, e:	0

Chem-info

IUPAC name:

9H-carbazol-4-yl 3-[2-(2-methoxyphenoxy)ethylamino]propaneperoxoate

Drug info:

PubChemData

Smile

CCCC[N+]1(CCC(=O)CC1)CCCC

DOS

IR

Vibrations