Geometry & MOs

Info

ID:	411035
PubChem CID:	135083844
Reduced:	BrOSN2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	290.90813
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	4.77
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dibromoethenyl)-4-methylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](NC(=S)N)O)Br

DOS

IR

Vibrations