Geometry & MOs

Info

ID:	156971
PubChem CID:	56404172
Reduced:	O3N4C24H36 (1)
Stoich.:	A3B4C24D36 (1)
Weight, g/mol:	371.170828
ΔH_f, kcal/mol:	-131.23
Dipole, Da:	3.66
IP(EA), eV:	-8.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCC(CC3)CN4CC(OC(C4)C)C

DOS

IR

Vibrations