Geometry & MOs

Info

ID:	288944
PubChem CID:	104328799
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	5.52
IP(EA), eV:	-9.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-methylphenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCC2=CC=CC=C2CN

DOS

IR

Vibrations