Geometry & MOs

Info

ID:	390759
PubChem CID:	135000795
Reduced:	N2O5C36H38 (1)
Stoich.:	A2B5C36D38 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	4.71
IP(EA), eV:	-9.18(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-4-(3-oxobutyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CCC1C(N1N2C(=O)C3=CC=CC=C3C2=O)(C)C(=O)OC4CC5CCC4(C5(C)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)O

DOS

IR

Vibrations