Geometry & MOs

Info

ID:	331148
PubChem CID:	127248555
Reduced:	ClN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	427.207133
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	3.47
IP(EA), eV:	-9.07(-0.19)
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-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CCC3CCCC3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations