Geometry & MOs

Info

ID:	262971
PubChem CID:	103331687
Reduced:	ClOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	34.83
Dipole, Da:	0.94
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=C3C=CSC3=NC(=N2)NC)Cl

DOS

IR

Vibrations