Geometry & MOs

Info

ID:	30564
PubChem CID:	841512
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	4.7
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-4-(cyclopentanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopentylmethanone

Drug info:

PubChemData

Smile

C1CCCC(=NNC(=O)C2=CC3=C(C=C2)OCO3)CC1

DOS

IR

Vibrations