Geometry & MOs

Info

ID:	262827
PubChem CID:	103321204
Reduced:	ClOSN3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	305.038961
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	4.44
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-phenoxyethyl)thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations