Geometry & MOs

Info

ID:	305765
PubChem CID:	124968544
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	429.161933
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	5.21
IP(EA), eV:	-9.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CCC(=O)N2CCC[C@H](C2)C3=CC=NC(=O)N3

DOS

IR

Vibrations