Geometry & MOs

Info

ID:	262898
PubChem CID:	103328095
Reduced:	SN4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	25.05
Dipole, Da:	4.4
IP(EA), eV:	-8.05(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-(4-ethylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NC)N3CCCC(C3)(C)C

DOS

IR

Vibrations