Geometry & MOs

Info

ID:	357654
PubChem CID:	127294328
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	391.248444
ΔH_f, kcal/mol:	35.46
Dipole, Da:	7.1
IP(EA), eV:	-8.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations