Geometry & MOs

Info

ID:	81550
PubChem CID:	49854854
Reduced:	N5C17H21 (1)
Stoich.:	A5B17C21 (1)
Weight, g/mol:	323.210996
ΔH_f, kcal/mol:	91.65
Dipole, Da:	6.76
IP(EA), eV:	-8.73(-0.01)
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]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCN(C2)C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations