Geometry & MOs

Info

ID:	171820
PubChem CID:	75429930
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	300.144948
ΔH_f, kcal/mol:	-20.19
Dipole, Da:	2.5
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopiperidin-1-yl)-4,4,4-trifluoro-3-phenylbutan-1-one

Drug info:

PubChemData

Smile

CN(C1CCS(=O)CC1)C(=O)NC2=NOC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations