Geometry & MOs

Info

ID:	364788
PubChem CID:	127316126
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	340.176007
ΔH_f, kcal/mol:	32.33
Dipole, Da:	4.37
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations