Geometry & MOs

Info

ID:	203402
PubChem CID:	79826620
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	48.91
Dipole, Da:	4.51
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=NN=C(N2C(=N1)C)C3CC4CCCCC4N3

DOS

IR

Vibrations