Geometry & MOs

Info

ID:	352474
PubChem CID:	127283562
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	10.33
IP(EA), eV:	-9.29(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3)N4C=NC=N4

DOS

IR

Vibrations