Geometry & MOs

Info

ID:	350414
PubChem CID:	127277776
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	4.57
IP(EA), eV:	-9.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CN=CC=C2)NC(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations