Geometry & MOs

Info

ID:	184459
PubChem CID:	77162280
Reduced:	Cl2N5O5C28H29 (1)
Stoich.:	A2B5C5D28E29 (1)
Weight, g/mol:	307.097521
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	6.46
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2CN(CC3=C2N(N=C3C(=O)NN4CCCCC4)C5=C(C=C(C=C5)Cl)Cl)OC(=O)OC

DOS

IR

Vibrations