Geometry & MOs

Info

ID:	81551
PubChem CID:	49854855
Reduced:	N5C19H25 (1)
Stoich.:	A5B19C25 (1)
Weight, g/mol:	349.15143
ΔH_f, kcal/mol:	88.96
Dipole, Da:	5.55
IP(EA), eV:	-8.58(0.01)
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-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN5C(=NN=C5C4)C

DOS

IR

Vibrations