Geometry & MOs

Info

ID:	348316
PubChem CID:	127273381
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	28.83
Dipole, Da:	3.66
IP(EA), eV:	-9.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations