Geometry & MOs

Info

ID:	399961
PubChem CID:	135044220
Reduced:	BrON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	41.68
Dipole, Da:	4.71
IP(EA), eV:	-9.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3S)-3-methylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations