Geometry & MOs

Info

ID:	203646
PubChem CID:	79854248
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	264.144948
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	4.71
IP(EA), eV:	-8.87(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclobutyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNC(=O)CC2(CCC2)N

DOS

IR

Vibrations