Geometry & MOs

Info

ID:	41937
PubChem CID:	8147869
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	5.72
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations