Geometry & MOs

Info

ID:	260631
PubChem CID:	103198198
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	270.134383
ΔH_f, kcal/mol:	79.4
Dipole, Da:	8.01
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CC2CNCC2N(C1)C3=NC=NC4=C3NC=N4

DOS

IR

Vibrations