Geometry & MOs

Info

ID:	449884
PubChem CID:	135302275
Reduced:	F3O4N6H19C20 (1)
Stoich.:	A3B4C6D19E20 (1)
Weight, g/mol:	171.104799
ΔH_f, kcal/mol:	-174.89
Dipole, Da:	3.72
IP(EA), eV:	-8.51(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,9,10-tetrahydropyrido[2,1-a]isoindole

Drug info:

PubChemData

Smile

C1COC[C@@H](N1C(=O)C2=CCNC=C2)CNC(=O)C3=NC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations