Geometry & MOs

Info

ID:	250481
PubChem CID:	103096963
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	324.05857
ΔH_f, kcal/mol:	-102.59
Dipole, Da:	2.72
IP(EA), eV:	-9.28(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(4-methyloxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NCC1CC1C

DOS

IR

Vibrations