Geometry & MOs

Info

ID:	298570
PubChem CID:	117651179
Reduced:	NCl2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	350.051273
ΔH_f, kcal/mol:	-62.59
Dipole, Da:	8.91
IP(EA), eV:	-9.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-10-(2,4-difluorophenyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations