Geometry & MOs

Info

ID:	28979
PubChem CID:	830960
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	5.73
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)OC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)O

DOS

IR

Vibrations