Geometry & MOs

Info

ID:	332271
PubChem CID:	127250557
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	6.85
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCC2=C1)CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=NN5

DOS

IR

Vibrations