Geometry & MOs

Info

ID:	168369
PubChem CID:	74958024
Reduced:	FON2C11H15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	369.01129
ΔH_f, kcal/mol:	-141.1
Dipole, Da:	2.89
IP(EA), eV:	-9.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)N1C)CC(CN2C3CCC2CC(C3)OCC4=CC=CC=C4CF)F

DOS

IR

Vibrations