Geometry & MOs

Info

ID:	41938
PubChem CID:	8147871
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	6.78
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)F)NCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations