Geometry & MOs

Info

ID:	131401
PubChem CID:	51200985
Reduced:	ClN2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	375.121906
ΔH_f, kcal/mol:	-143.23
Dipole, Da:	6.09
IP(EA), eV:	-8.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(O2)Cl)N3CCOCC3)OC

DOS

IR

Vibrations