Geometry & MOs

Info

ID:	403285
PubChem CID:	135059557
Reduced:	BrON4H23C25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	486.11944
ΔH_f, kcal/mol:	93.15
Dipole, Da:	7.11
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-5-(bromomethyl)-5-naphthalen-1-yl-3-(2-naphthalen-1-ylprop-2-enyl)oxolan-3-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@H](N([C@@H]1C2=CC=CC=C2)C(=O)[C@H]([C@H](C3=CC=CC=C3)N=[N+]=[N-])Br)C4=CC=CC=C4

DOS

IR

Vibrations