Geometry & MOs

Info

ID:	331144
PubChem CID:	127248551
Reduced:	FSN4O4C20H29 (1)
Stoich.:	ABC4D4E20F29 (1)
Weight, g/mol:	401.247855
ΔH_f, kcal/mol:	-159.06
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCOC(C1)C2=NN(C(=C2)CCOC3=CC(=CC=C3)F)C

DOS

IR

Vibrations