Geometry & MOs

Info

ID:	332032
PubChem CID:	127250318
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	70.38
Dipole, Da:	3.52
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-(2-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations