Geometry & MOs

Info

ID:	332182
PubChem CID:	127250468
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	4.48
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations