Geometry & MOs

Info

ID:	331205
PubChem CID:	127248612
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	447.152511
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	1.74
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations