Geometry & MOs

Info

ID:	262863
PubChem CID:	103323918
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	10.81
Dipole, Da:	5.61
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azocan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CSC2=N1)N3CCNC(=O)C3

DOS

IR

Vibrations