Geometry & MOs

Info

ID:	402837
PubChem CID:	135057458
Reduced:	BrON4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	356.04119
ΔH_f, kcal/mol:	25.34
Dipole, Da:	7.85
IP(EA), eV:	-9.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(bromomethyl)-2-methyl-5-phenyl-3H-furan-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCC[C@@H]([C@@H](C(=O)N1[C@@H](CC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)Br)N=[N+]=[N-]

DOS

IR

Vibrations