Geometry & MOs

Info

ID:	30718
PubChem CID:	841762
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	5.58
IP(EA), eV:	-9.02(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-4-(cyclobutanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)C2CCC2)C)C(=O)C3CCC3

DOS

IR

Vibrations