Geometry & MOs

Info

ID:	390807
PubChem CID:	135001048
Reduced:	FNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	301.240565
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	2.4
IP(EA), eV:	-8.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-propylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1=CC=CC=C1)C2=CC3=C(N2)CC=C(C3)F

DOS

IR

Vibrations