Geometry & MOs

Info

ID:	260710
PubChem CID:	103201020
Reduced:	BrClO2N4H8C13 (1)
Stoich.:	ABC2D4E8F13 (1)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	22.16
Dipole, Da:	8.57
IP(EA), eV:	-10.32(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)C2=CC=NC3=NC(=NN23)CC(=O)O

DOS

IR

Vibrations