Geometry & MOs

Info

ID:	332498
PubChem CID:	127250784
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	413.186318
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	6.2
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4)C

DOS

IR

Vibrations