Geometry & MOs

Info

ID:	30716
PubChem CID:	841760
Reduced:	NO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-226.56
Dipole, Da:	5.46
IP(EA), eV:	-9.63(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3

DOS

IR

Vibrations