Geometry & MOs

Info

ID:	170696
PubChem CID:	75268899
Reduced:	Cl2O2N5C18H27 (1)
Stoich.:	A2B2C5D18E27 (1)
Weight, g/mol:	416.134068
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	7.86
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC(=NC(=C2)Cl)Cl)CC(C)C)N

DOS

IR

Vibrations