Geometry & MOs

Info

ID:	331926
PubChem CID:	127250212
Reduced:	ON3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	60.99
Dipole, Da:	4.36
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC3=CC=CC=C23)C4=NC=C(C=C4)CC5=CC=CC=C5

DOS

IR

Vibrations