Geometry & MOs

Info

ID:	332180
PubChem CID:	127250466
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	4.32
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations