Geometry & MOs

Info

ID:	175300
PubChem CID:	75880608
Reduced:	SO2N6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	420.26376
ΔH_f, kcal/mol:	68.0
Dipole, Da:	8.88
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CSC1=NN=NN1C2=CC=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations