Geometry & MOs

Info

ID:	332460
PubChem CID:	127250746
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	1.09
IP(EA), eV:	-8.67(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC(=C4)OC

DOS

IR

Vibrations