Geometry & MOs

Info

ID:	262930
PubChem CID:	103329807
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	303.126615
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	6.15
IP(EA), eV:	-8.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-N-[3-(triazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCNC1=C2C=CSC2=NC(=N1)N

DOS

IR

Vibrations