Geometry & MOs

Info

ID:	64559
PubChem CID:	29202866
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	7.82
IP(EA), eV:	-9.39(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NC(=O)N

DOS

IR

Vibrations