Geometry & MOs

Info

ID:	155693
PubChem CID:	56366950
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	449.178707
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	4.19
IP(EA), eV:	-10.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC(=O)CCNC(=O)C2=COC(=C2)Br

DOS

IR

Vibrations