Geometry & MOs

Info

ID:	332562
PubChem CID:	127250848
Reduced:	F2O3N5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	4.19
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrazol-4-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations