Geometry & MOs

Info

ID:	331169
PubChem CID:	127248576
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	427.201968
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	1.96
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC4=C(C=C3)N=CC=C4)CCOC5=CC(=CC=C5)F

DOS

IR

Vibrations