Geometry & MOs

Info

ID:	331151
PubChem CID:	127248558
Reduced:	F2O2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	3.23
IP(EA), eV:	-8.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations