Geometry & MOs

Info

ID:	341811
PubChem CID:	127264504
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	2.86
IP(EA), eV:	-9.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCC(=O)OCC1=CC=CC=C1)CO

DOS

IR

Vibrations