Geometry & MOs

Info

ID:	332548
PubChem CID:	127250834
Reduced:	FN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	426.187875
ΔH_f, kcal/mol:	-112.18
Dipole, Da:	1.75
IP(EA), eV:	-8.67(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations