Geometry & MOs

Info

ID:	331114
PubChem CID:	127248521
Reduced:	FO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	425.187005
ΔH_f, kcal/mol:	-44.92
Dipole, Da:	1.99
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CCC3=CC=CC=C3)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations