Geometry & MOs

Info

ID:	196416
PubChem CID:	78820951
Reduced:	OCl2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	4.82
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxyethyl(pentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN(CC1CC1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations