Geometry & MOs

Info

ID:	332132
PubChem CID:	127250418
Reduced:	FON5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	408.23254
ΔH_f, kcal/mol:	7.13
Dipole, Da:	1.09
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1C=C(C=C2)F)CN3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(C=C5)N

DOS

IR

Vibrations