Geometry & MOs

Info

ID:	333736
PubChem CID:	127252288
Reduced:	F3O3N4H19C22 (1)
Stoich.:	A3B3C4D19E22 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-183.3
Dipole, Da:	4.59
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=NNC(=O)C=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations