Geometry & MOs

Info

ID:	331110
PubChem CID:	127248517
Reduced:	ClFO2N3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	429.161933
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	1.95
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=C(C=C3)F)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations