Geometry & MOs

Info

ID:	332439
PubChem CID:	127250725
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	5.47
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(3-methoxyphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations