Geometry & MOs

Info

ID:	217639
PubChem CID:	85088146
Reduced:	NCl2O8C13H15 (1)
Stoich.:	AB2C8D13E15 (1)
Weight, g/mol:	382.99055
ΔH_f, kcal/mol:	-266.11
Dipole, Da:	7.5
IP(EA), eV:	-10.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-5-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(Cl)Cl)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations