Geometry & MOs

Info

ID:	144458
PubChem CID:	53372177
Reduced:	ClFON4C19H24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	394.157182
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	3.12
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-chloro-4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2C(=O)C3CCN(CC3=N2)CC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations