Geometry & MOs

Info

ID:	129993
PubChem CID:	51074510
Reduced:	OS2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	273.104817
ΔH_f, kcal/mol:	100.09
Dipole, Da:	8.83
IP(EA), eV:	-9.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-(1-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=NN=N2)SC3=NC=NC4=C3SC=C4

DOS

IR

Vibrations