Geometry & MOs

Info

ID:	332433
PubChem CID:	127250719
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	397.155705
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	3.02
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=C(C=C2)F)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations