Geometry & MOs

Info

ID:	332466
PubChem CID:	127250752
Reduced:	F3N3O3C22H26 (1)
Stoich.:	A3B3C3D22E26 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-237.47
Dipole, Da:	3.28
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]-4-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations