Geometry & MOs

Info

ID:	381467
PubChem CID:	134972218
Reduced:	BrN2O5H19C22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	299.197082
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	2.25
IP(EA), eV:	-9.24(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-nitro-2-oxocyclododecyl)propanoylazanium

Drug info:

PubChemData

Smile

CC(=O)N1C(/C(=C\C(=O)N2[C@H](COC2=O)C3=CC=CC=C3)/C4=C1C=C(C=C4)Br)OC

DOS

IR

Vibrations