Geometry & MOs

Info

ID:	332446
PubChem CID:	127250732
Reduced:	FO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	447.151824
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	1.57
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=NC=CN=C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations