Geometry & MOs

Info

ID:	331116
PubChem CID:	127248523
Reduced:	ClO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	427.207133
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	1.57
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)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)Cl

DOS

IR

Vibrations