Geometry & MOs

Info

ID:	331157
PubChem CID:	127248564
Reduced:	F2O2N5C20H21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	431.176896
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	1.56
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C3=NC=CC=N3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations