Geometry & MOs

Info

ID:	289565
PubChem CID:	104359498
Reduced:	BrClN2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	332.96684
ΔH_f, kcal/mol:	49.63
Dipole, Da:	4.88
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(3-bromo-2-chlorophenyl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations