Geometry & MOs

Info

ID:	143390
PubChem CID:	53202537
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	14.24
Dipole, Da:	13.71
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN=C(N12)C)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations