Geometry & MOs

Info

ID:	181294
PubChem CID:	76729112
Reduced:	BrN3O4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	388.98336
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C3=C(O2)C=CC(=C3)Br)CC(CO)O

DOS

IR

Vibrations