Geometry & MOs

Info

ID:	331188
PubChem CID:	127248595
Reduced:	FN3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	429.156767
ΔH_f, kcal/mol:	-92.22
Dipole, Da:	3.15
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)C3=CC4=CC=CC=C4O3)CCOC5=CC=C(C=C5)F

DOS

IR

Vibrations