Geometry & MOs

Info

ID:	262865
PubChem CID:	103324091
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	50.55
Dipole, Da:	1.89
IP(EA), eV:	-8.17(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=C(SC2=N1)C)NC3CC3

DOS

IR

Vibrations