Geometry & MOs

Info

ID:	216916
PubChem CID:	85086971
Reduced:	NO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	325.099333
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	6.08
IP(EA), eV:	-8.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-chloro-4-(2-fluorophenyl)-8-oxa-3,5,6-triazatricyclo[7.4.0.02,6]tridecan-7-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=CC2=CC=CC=C2O)[N+](=O)[O-])OC

DOS

IR

Vibrations