Geometry & MOs

Info

ID:	207703
PubChem CID:	80440412
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-39.62
Dipole, Da:	3.62
IP(EA), eV:	-9.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)CC1=C(C=CC=N1)Cl

DOS

IR

Vibrations