Geometry & MOs

Info

ID:	333081
PubChem CID:	127251505
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	408.23254
ΔH_f, kcal/mol:	16.81
Dipole, Da:	3.42
IP(EA), eV:	-8.57(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=CC=C4C)C

DOS

IR

Vibrations