Geometry & MOs

Info

ID:	333411
PubChem CID:	127251963
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	374.179442
ΔH_f, kcal/mol:	-179.3
Dipole, Da:	2.95
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations