Geometry & MOs

Info

ID:	262836
PubChem CID:	103321854
Reduced:	ClSN3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	16.21
Dipole, Da:	6.74
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-ethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)NCC(C)C(C)C

DOS

IR

Vibrations