Geometry & MOs

Info

ID:	262900
PubChem CID:	103328350
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	278.156518
ΔH_f, kcal/mol:	4.57
Dipole, Da:	3.49
IP(EA), eV:	-8.27(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-ethylpentan-3-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)N3CCN(C(=O)C3)C

DOS

IR

Vibrations