Geometry & MOs

Info

ID:	140095
PubChem CID:	52646375
Reduced:	BrN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	413.06266
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-bromo-4-methylphenoxy)-N-[(R)-furan-2-yl(phenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)COC4=CC(=CC=C4)Br

DOS

IR

Vibrations