Geometry & MOs

Info

ID:	217306
PubChem CID:	85087588
Reduced:	BrClNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	351.095417
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	3.95
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(4-nitrobenzoyl)oxycyclopentane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)Cl)NC(=O)C1Br)C3=CC=CC=C3

DOS

IR

Vibrations