Geometry & MOs

Info

ID:	181293
PubChem CID:	76728332
Reduced:	ClON4C26H27 (1)
Stoich.:	ABC4D26E27 (1)
Weight, g/mol:	381.03242
ΔH_f, kcal/mol:	56.23
Dipole, Da:	7.15
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-[[2,3-dihydroxypropyl(methyl)amino]methyl]-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2NC3C(NNC3C(=O)N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations