Geometry & MOs

Info

ID:	262918
PubChem CID:	103329530
Reduced:	SN6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	68.56
Dipole, Da:	3.9
IP(EA), eV:	-8.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,3,5,5-tetramethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NC)NN3CCN(CC3)C

DOS

IR

Vibrations