Geometry & MOs

Info

ID:	262876
PubChem CID:	103325432
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	288.084496
ΔH_f, kcal/mol:	71.29
Dipole, Da:	4.46
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-fluorophenyl)methyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C2=C3C=CSC3=NC(=N2)NC

DOS

IR

Vibrations