Geometry & MOs

Info

ID:	69204
PubChem CID:	46530450
Reduced:	O4N5C24H25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	4.91
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O

DOS

IR

Vibrations