Geometry & MOs

Info

ID:	323345
PubChem CID:	126674423
Reduced:	NSBr2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	406.97073
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	2.57
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-bromophenyl)-N-cyclohex-2-en-1-ylaniline

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]2[C@@H](C1)OS(=O)O2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

DOS

IR

Vibrations