Geometry & MOs

Info

ID:	331156
PubChem CID:	127248563
Reduced:	F2N3O3C24H25 (1)
Stoich.:	A2B3C3D24E25 (1)
Weight, g/mol:	401.166331
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	2.28
IP(EA), eV:	-9.1(-0.1)
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-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CC3=CC=C(C=C3)F)CCOC4=CC=CC=C4F

DOS

IR

Vibrations