Geometry & MOs

Info

ID:	331108
PubChem CID:	127248515
Reduced:	O2F3N3C21H28 (1)
Stoich.:	A2B3C3D21E28 (1)
Weight, g/mol:	429.161933
ΔH_f, kcal/mol:	-201.22
Dipole, Da:	5.0
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations