Geometry & MOs

Info

ID:	331753
PubChem CID:	127250037
Reduced:	OF3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	3.75
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-benzylpyridin-2-yl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations