Geometry & MOs

Info

ID:	401655
PubChem CID:	135051988
Reduced:	FSN3H4C6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	28.2
Dipole, Da:	5.79
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1-phenyl-3a,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-7a-yl)morpholine

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1N)SN=N2)F

DOS

IR

Vibrations