Geometry & MOs

Info

ID:	331109
PubChem CID:	127248516
Reduced:	ClFO2N3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	429.161933
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	0.72
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=CC=C3F)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations