Geometry & MOs

Info

ID:	380034
PubChem CID:	134964513
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	250.05647
ΔH_f, kcal/mol:	-12.41
Dipole, Da:	2.99
IP(EA), eV:	-9.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)ethynyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1C[C@@]1(C=O)C2=CC=CC=C2

DOS

IR

Vibrations