Geometry & MOs

Info

ID:	289563
PubChem CID:	104359496
Reduced:	BrClN2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	297.98724
ΔH_f, kcal/mol:	54.44
Dipole, Da:	4.82
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations