Geometry & MOs

Info

ID:	331839
PubChem CID:	127250125
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	425.247855
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	4.25
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpiperidin-4-yl)-1-[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=NOC(=C4CN(C)C)C

DOS

IR

Vibrations