Geometry & MOs

Info

ID:	81549
PubChem CID:	49854853
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	295.179696
ΔH_f, kcal/mol:	105.37
Dipole, Da:	5.97
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C=NN=C2CN1C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations