Geometry & MOs

Info

ID:	153213
PubChem CID:	56312373
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	351.138305
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	5.01
IP(EA), eV:	-9.03(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-N-propan-2-ylanilino)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CCN1C2=CC=CC=C2OC1=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations