Geometry & MOs

Info

ID:	262825
PubChem CID:	103321166
Reduced:	ClOSN3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	311.122297
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	4.97
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-N-(2-methylpropyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(CC)N(CCO)C1=C2C=C(SC2=NC(=N1)Cl)C

DOS

IR

Vibrations