Geometry & MOs

Info

ID:	333041
PubChem CID:	127251465
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	26.68
Dipole, Da:	3.61
IP(EA), eV:	-8.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=CC(=NC(=C2)C)C3CN(CCO3)CC4=CN(N=C4C)C

DOS

IR

Vibrations