Geometry & MOs

Info

ID:	361850
PubChem CID:	127304821
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	399.18413
ΔH_f, kcal/mol:	9.46
Dipole, Da:	5.77
IP(EA), eV:	-8.44(-0.33)
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)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=CN=C(S4)C)C

DOS

IR

Vibrations