Geometry & MOs

Info

ID:	244610
PubChem CID:	99368213
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	420.26376
ΔH_f, kcal/mol:	-239.84
Dipole, Da:	5.79
IP(EA), eV:	-9.51(-0.68)
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-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)N2CCCC[C@H]2C3OCCO3

DOS

IR

Vibrations