Geometry & MOs

Info

ID:	81547
PubChem CID:	49854851
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	309.195346
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	2.35
IP(EA), eV:	-8.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CCN1CCN(CCC1=O)C2=CC=C(C=C2)C34CC3CNC4

DOS

IR

Vibrations