Geometry & MOs

Info

ID:	131192
PubChem CID:	51172637
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	28.27
Dipole, Da:	6.5
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=NN3C(=CC=NC3=N2)C

DOS

IR

Vibrations