Geometry & MOs

Info

ID:	370812
PubChem CID:	127340639
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	5.7
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations