Geometry & MOs

Info

ID:	289564
PubChem CID:	104359497
Reduced:	BrClN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	283.97159
ΔH_f, kcal/mol:	46.04
Dipole, Da:	5.73
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[amino-(3-bromo-2-chlorophenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CCC/C(=C(\C1=C(C(=CC=C1)Br)Cl)/N)/C#N

DOS

IR

Vibrations