Geometry & MOs

Info

ID:	357629
PubChem CID:	127294302
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	385.259009
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

DOS

IR

Vibrations