Geometry & MOs

Info

ID:	230084
PubChem CID:	87570084
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	321.95892
ΔH_f, kcal/mol:	-186.95
Dipole, Da:	8.9
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2,3-dinitro-4-phenylbenzene

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations