Geometry & MOs

Info

ID:	126739
PubChem CID:	50976067
Reduced:	SN3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	287.120467
ΔH_f, kcal/mol:	103.27
Dipole, Da:	4.87
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5,6-trimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NCCSC3=NNN=C3)C

DOS

IR

Vibrations