Geometry & MOs

Info

ID:	148739
PubChem CID:	53788408
Reduced:	N2O7C19H24 (1)
Stoich.:	A2B7C19D24 (1)
Weight, g/mol:	295.94599
ΔH_f, kcal/mol:	-166.09
Dipole, Da:	6.01
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-8-bromo-6-fluoro-2-(trifluoromethyl)-2H-chromene

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC(=COCC=C=O)OCC)O

DOS

IR

Vibrations