Geometry & MOs

Info

ID:	401430
PubChem CID:	135051245
Reduced:	BrN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	215.026855
ΔH_f, kcal/mol:	85.32
Dipole, Da:	3.75
IP(EA), eV:	-9.25(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-chloroprop-2-enyl)-N-methylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CC(C#N)C2=C(C=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations