Geometry & MOs

Info

ID:	229185
PubChem CID:	87567139
Reduced:	O3C6H13 (2)
Stoich.:	A3B6C13 (2)
Weight, g/mol:	742.184871
ΔH_f, kcal/mol:	-311.5
Dipole, Da:	7.78
IP(EA), eV:	-9.93(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-carbazol-4-yl 3-[[2-(chloromethyl)benzoyl]-[2-(2-methoxyphenoxy)ethyl]amino]propaneperoxoate;4-(chloromethyl)benzoic acid

Drug info:

PubChemData

Smile

CCCOC(C)C(=O)O.CC(CO)OCC(C)O

DOS

IR

Vibrations