Geometry & MOs

Info

ID:	209542
PubChem CID:	80686502
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	94.81
Dipole, Da:	7.53
IP(EA), eV:	-8.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-8-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCN2C=NC3=C2C=CC(=C3)N

DOS

IR

Vibrations