Geometry & MOs

Info

ID:	130351
PubChem CID:	51075682
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	3.51
IP(EA), eV:	-9.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=N2)C(=O)N

DOS

IR

Vibrations