Geometry & MOs

Info

ID:	217588
PubChem CID:	85088064
Reduced:	BrNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	380.158351
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	1.27
IP(EA), eV:	-9.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,16,16-tetramethyl-5,7,15,17-tetraoxa-2,12-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,11-triene-9,10,19-triol

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)OC(=O)C(CC=CBr)(C3=CC=CC=C3)O

DOS

IR

Vibrations