Geometry & MOs

Info

ID:	144459
PubChem CID:	53372178
Reduced:	ClFO2N4C19H24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	371.120068
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	2.5
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=NN(C(=O)C21)CCN3CCOCC3)CC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations