Geometry & MOs

Info

ID:	333668
PubChem CID:	127252220
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	433.172559
ΔH_f, kcal/mol:	11.7
Dipole, Da:	5.29
IP(EA), eV:	-8.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-pyrazin-2-ylmorpholine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CC4=CC=CC=N4

DOS

IR

Vibrations