Geometry & MOs

Info

ID:	163359
PubChem CID:	57841337
Reduced:	ClNO4H24C31 (1)
Stoich.:	ABC4D24E31 (1)
Weight, g/mol:	543.334859
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	7.55
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[(4-dec-1-ynylphenyl)methyl]-N-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)O)C(=O)O

DOS

IR

Vibrations