Geometry & MOs

Info

ID:	332467
PubChem CID:	127250753
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	7.06
Dipole, Da:	5.24
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCC2=CC(=NN2)C3CN(CCO3)C4=NC=CC=N4

DOS

IR

Vibrations