Geometry & MOs

Info

ID:	332068
PubChem CID:	127250354
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	76.63
Dipole, Da:	5.61
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[5-(2-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=NN4

DOS

IR

Vibrations