Geometry & MOs

Info

ID:	40298
PubChem CID:	8143894
Reduced:	NOCl2H17C22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	355.113233
ΔH_f, kcal/mol:	30.62
Dipole, Da:	6.45
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations