Geometry & MOs

Info

ID:	44568
PubChem CID:	10504098
Reduced:	NOC15H19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	458.181019
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	3.02
IP(EA), eV:	-8.44(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1C(C(CCC1(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C(=O)NC4=CCCCC4

DOS

IR

Vibrations