Geometry & MOs

Info

ID:	348536
PubChem CID:	127273647
Reduced:	Cl2O2N5C17H19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	5.45
IP(EA), eV:	-9.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenyl)carbamoylamino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C(C)NC(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations